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

Systemtic Name: 4-azanyl-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]pyrimidine-5-carbonitrile Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C(=N3)N)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C(=N3)N)C#N)C

InChI

InChI=1S/C17H14N4O2S/c1-9-3-4-13-11(5-14(22)23-15(13)10(9)2)8-24-17-20-7-12(6-18)16(19)21-17/h3-5,7H,8H2,1-2H3,(H2,19,20,21)