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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C(=N3)N)C#N

InChI

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