2-[[6-azanyl-5-(1H-indol-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-azanyl-5-(1H-indol-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-amino-5-(1H-indol-3-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[6-amino-5-(1H-indol-3-yl)-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[6-amino-5-(1H-indol-3-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-amino-5-(1H-indol-3-yl)-4-keto-1H-pyrimidin-2-yl]thio]acetic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=C(NC(=NC3=O)SCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=C(NC(=NC3=O)SCC(=O)O)N

InChI

InChI=1S/C14H12N4O3S/c15-12-11(8-5-16-9-4-2-1-3-7(8)9)13(21)18-14(17-12)22-6-10(19)20/h1-5,16H,6H2,(H,19,20)(H3,15,17,18,21)