7-azanyl-5-[4-(dimethylamino)-3-nitro-phenyl]-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: 7-azanyl-5-[4-(dimethylamino)-3-nitro-phenyl]-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 7-amino-5-[4-(dimethylamino)-3-nitro-phenyl]-4-oxo-2-thioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile CAS Name: 7-amino-5-[4-(dimethylamino)-3-nitrophenyl]-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile IUPAC Name: 7-amino-5-[4-(dimethylamino)-3-nitrophenyl]-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 7-amino-5-[4-(dimethylamino)-3-nitro-phenyl]-4-keto-2-thioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile Formula: C16H14N6O4S MolecularWeight: 386.38516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)NC(=S)N3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)NC(=S)N3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O4S/c1-21(2)9-4-3-7(5-10(9)22(24)25)11-8(6-17)13(18)26-15-12(11)14(23)19-16(27)20-15/h3-5,11H,18H2,1-2H3,(H2,19,20,23,27)