6-azanyl-8-(3-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,8-dihydropyrano[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 6-azanyl-8-(3-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,8-dihydropyrano[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 6-amino-8-(3-nitrophenyl)-4-oxo-2-thioxo-1,8-dihydropyrano[3,2-d]pyrimidine-7-carbonitrile CAS Name: 6-amino-8-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1,8-dihydropyrano[3,2-d]pyrimidine-7-carbonitrile IUPAC Name: 6-amino-8-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1,8-dihydropyrano[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 6-amino-4-keto-8-(3-nitrophenyl)-2-thioxo-1,8-dihydropyrano[3,2-d]pyrimidine-7-carbonitrile Formula: C14H9N5O4S MolecularWeight: 343.31736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(OC3=C2NC(=S)NC3=O)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(OC3=C2NC(=S)NC3=O)N)C#N

InChI

InChI=1S/C14H9N5O4S/c15-5-8-9(6-2-1-3-7(4-6)19(21)22)10-11(23-12(8)16)13(20)18-14(24)17-10/h1-4,9H,16H2,(H2,17,18,20,24)