7-azanyl-4-oxidanylidene-5-phenyl-2-(phenylmethylsulfanyl)-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: 7-azanyl-4-oxidanylidene-5-phenyl-2-(phenylmethylsulfanyl)-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 7-amino-2-benzylsulfanyl-4-oxo-5-phenyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile CAS Name: 7-amino-4-oxo-5-phenyl-2-(phenylmethylthio)-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile IUPAC Name: 7-amino-2-benzylsulfanyl-4-oxo-5-phenyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 7-amino-2-(benzylthio)-4-keto-5-phenyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C(C(=C(O3)N)C#N)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C(C(=C(O3)N)C#N)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H16N4O2S/c22-11-15-16(14-9-5-2-6-10-14)17-19(26)24-21(25-20(17)27-18(15)23)28-12-13-7-3-1-4-8-13/h1-10,16H,12,23H2,(H,24,25,26)