4-azanyl-2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]pyrimidine-5-carbonitrile Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C(=N3)N)C#N)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C(=N3)N)C#N)O

InChI

InChI=1S/C17H14N4O3S/c1-2-9-3-12-10(4-15(23)24-14(12)5-13(9)22)8-25-17-20-7-11(6-18)16(19)21-17/h3-5,7,22H,2,8H2,1H3,(H2,19,20,21)