4-azanyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]pyrimidine-5-carbonitrile Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=C(C(=N3)N)C#N)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=C(C(=N3)N)C#N)O

InChI

InChI=1S/C16H12N4O3S/c1-8-12(21)3-2-11-9(4-13(22)23-14(8)11)7-24-16-19-6-10(5-17)15(18)20-16/h2-4,6,21H,7H2,1H3,(H2,18,19,20)