2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)C=C1

InChI

InChI=1S/C20H18N6OS/c1-13-2-5-17-22-15(10-18(27)25(17)11-13)12-28-20-24-23-19(26(20)16-3-4-16)14-6-8-21-9-7-14/h2,5-11,16H,3-4,12H2,1H3