7-azanyl-5-(3-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,4a,5,8a-tetrahydropyrano[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: 7-azanyl-5-(3-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,4a,5,8a-tetrahydropyrano[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 7-amino-5-(3-nitrophenyl)-4-oxo-2-thioxo-1,4a,5,8a-tetrahydropyrano[2,3-d]pyrimidine-6-carbonitrile CAS Name: 7-amino-5-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1,4a,5,8a-tetrahydropyrano[2,3-d]pyrimidine-6-carbonitrile IUPAC Name: 7-amino-5-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1,4a,5,8a-tetrahydropyrano[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 7-amino-4-keto-5-(3-nitrophenyl)-2-thioxo-1,4a,5,8a-tetrahydropyrano[2,3-d]pyrimidine-6-carbonitrile Formula: C14H11N5O4S MolecularWeight: 345.33324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C3C(NC(=S)NC3=O)OC(=C2C#N)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C3C(NC(=S)NC3=O)OC(=C2C#N)N

InChI

InChI=1S/C14H11N5O4S/c15-5-8-9(6-2-1-3-7(4-6)19(21)22)10-12(20)17-14(24)18-13(10)23-11(8)16/h1-4,9-10,13H,16H2,(H2,17,18,20,24)