4-azanyl-2-[2-(1-methylindol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(1-methylindol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(1-methylindol-3-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(1-methyl-3-indolyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(1-methylindol-3-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(1-methylindol-3-yl)ethyl]thio]pyrimidine-5-carbonitrile Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C16H13N5OS/c1-21-8-12(11-4-2-3-5-13(11)21)14(22)9-23-16-19-7-10(6-17)15(18)20-16/h2-5,7-8H,9H2,1H3,(H2,18,19,20)