3-(8-methylsulfanyl-4-oxidanylidene-1H-pyrimido[5,4-d]pyrimidin-2-yl)-4-propoxy-benzenecarbonitrile

Systemtic Name: 3-(8-methylsulfanyl-4-oxidanylidene-1H-pyrimido[5,4-d]pyrimidin-2-yl)-4-propoxy-benzenecarbonitrile Openeye Name: 3-(8-methylsulfanyl-4-oxo-1H-pyrimido[5,4-d]pyrimidin-2-yl)-4-propoxy-benzonitrile CAS Name: 3-[8-(methylthio)-4-oxo-1H-pyrimido[5,4-d]pyrimidin-2-yl]-4-propoxybenzonitrile IUPAC Name: 3-(8-methylsulfanyl-4-oxo-1H-pyrimido[5,4-d]pyrimidin-2-yl)-4-propoxybenzonitrile Traditional Name: 3-[4-keto-8-(methylthio)-1H-pyrimido[5,4-d]pyrimidin-2-yl]-4-propoxy-benzonitrile Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C#N)C2=NC(=O)C3=C(N2)C(=NC=N3)SC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C#N)C2=NC(=O)C3=C(N2)C(=NC=N3)SC

InChI

InChI=1S/C17H15N5O2S/c1-3-6-24-12-5-4-10(8-18)7-11(12)15-21-14-13(16(23)22-15)19-9-20-17(14)25-2/h4-5,7,9H,3,6H2,1-2H3,(H,21,22,23)