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

Systemtic Name: 5-[(2-azanyl-3-methyl-4-oxidanylidene-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]pyridine-2-carbonitrile Openeye Name: 5-[2-amino-3-methyl-4-oxo-7a-(2-thienyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridine-2-carbonitrile CAS Name: 5-[(2-amino-3-methyl-4-oxo-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-6-yl)-oxomethyl]-2-pyridinecarbonitrile IUPAC Name: 5-(2-amino-3-methyl-4-oxo-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridine-2-carbonitrile Traditional Name: 5-[2-amino-4-keto-3-methyl-7a-(2-thienyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carbonyl]picolinonitrile Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O2S/c1-23-16(26)13-9-24(15(25)11-4-5-12(7-19)21-8-11)10-18(13,22-17(23)20)14-3-2-6-27-14/h2-6,8,13H,9-10H2,1H3,(H2,20,22)