(Z)-4-oxidanylidene-4-(7H-purin-6-ylamino)but-2-enoic acid

Systemtic Name: (Z)-4-oxidanylidene-4-(7H-purin-6-ylamino)but-2-enoic acid Openeye Name: (Z)-4-oxo-4-(7H-purin-6-ylamino)but-2-enoic acid CAS Name: (Z)-4-oxo-4-(7H-purin-6-ylamino)-2-butenoic acid IUPAC Name: (Z)-4-oxo-4-(7H-purin-6-ylamino)but-2-enoic acid Traditional Name: (Z)-4-keto-4-(7H-purin-6-ylamino)but-2-enoic acid Formula: C9H7N5O3 MolecularWeight: 233.18358

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)NC(=O)/C=C\C(=O)O

InChI

InChI=1S/C9H7N5O3/c15-5(1-2-6(16)17)14-9-7-8(11-3-10-7)12-4-13-9/h1-4H,(H,16,17)(H2,10,11,12,13,14,15)/b2-1-