(Q72436050)

English

4-(2-Amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydro-pyrrolo[2,3-c]azepin-8(1H)-one

chemical compound

NSC 607174

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

245.091274592 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₁H₁₁N₅O₂

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canonical SMILES

N=C1NC(=O)/C(=C2/CCNC(=O)c3[nH]ccc32)N1

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

N=C1NC(=O)/C(=C2/CCNC(=O)c3[nH]ccc32)N1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6+

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InChIKey

JYRJOQGKGMHTOO-SOFGYWHQSA-N

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matched by identifier from

InChIKey

JYRJOQGKGMHTOO-SOFGYWHQSA-N

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6 July 2021

CAS no.: 125118-55-0 (English)

title

Debromohymenialdisine (English)

KNApSAcK ID

C00049339

1 reference

matched by identifier from

InChIKey

JYRJOQGKGMHTOO-SOFGYWHQSA-N

(Q72436050)

4-(2-Amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydro-pyrrolo[2,3-c]azepin-8(1H)-one

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