3-[(2-azanyl-3-methyl-4-oxidanylidene-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 3-[(2-azanyl-3-methyl-4-oxidanylidene-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]benzenecarbonitrile Openeye Name: 3-[2-amino-3-methyl-4-oxo-7a-(2-thienyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carbonyl]benzonitrile CAS Name: 3-[(2-amino-3-methyl-4-oxo-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-6-yl)-oxomethyl]benzonitrile IUPAC Name: 3-(2-amino-3-methyl-4-oxo-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carbonyl)benzonitrile Traditional Name: 3-[2-amino-4-keto-3-methyl-7a-(2-thienyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carbonyl]benzonitrile Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2CN(CC2(N=C1N)C3=CC=CS3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C(=O)C2CN(CC2(N=C1N)C3=CC=CS3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H17N5O2S/c1-23-17(26)14-10-24(16(25)13-5-2-4-12(8-13)9-20)11-19(14,22-18(23)21)15-6-3-7-27-15/h2-8,14H,10-11H2,1H3,(H2,21,22)