2-[4-[(2-methyl-4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]thiophene-3-carbonitrile

Systemtic Name: 2-[4-[(2-methyl-4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]thiophene-3-carbonitrile Openeye Name: 2-[4-[(2-methyl-4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]thiophene-3-carbonitrile CAS Name: 2-[4-[(2-methyl-4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]-3-thiophenecarbonitrile IUPAC Name: 2-[4-[(2-methyl-4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]thiophene-3-carbonitrile Traditional Name: 2-[4-[(4-keto-2-methyl-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]thiophene-3-carbonitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)C)CC2=CC=C(C=C2)C3=C(C=CS3)C#N

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)C)CC2=CC=C(C=C2)C3=C(C=CS3)C#N

InChI

InChI=1S/C20H19N3OS/c1-3-4-18-17(20(24)23-13(2)22-18)11-14-5-7-15(8-6-14)19-16(12-21)9-10-25-19/h5-10H,3-4,11H2,1-2H3,(H,22,23,24)