6-azanyl-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C14H12N4O2S/c15-12-5-13(20)18-14(17-12)21-7-11(19)9-6-16-10-4-2-1-3-8(9)10/h1-6,16H,7H2,(H3,15,17,18,20)