2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)CSC3=NN=C(N3CC=C)C4CCCCC4

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)CSC3=NN=C(N3CC=C)C4CCCCC4

InChI

InChI=1S/C21H25N5OS/c1-3-10-26-20(16-7-5-4-6-8-16)23-24-21(26)28-14-17-13-19(27)25-11-9-15(2)12-18(25)22-17/h3,9,11-13,16H,1,4-8,10,14H2,2H3