3-methyl-5-(4-methylsulfanylphenyl)-6-pyridin-4-yl-2-[(E)-1,2,3,4-tetrahydroisoquinolin-3-ylmethylideneamino]pyrimidin-4-one

Systemtic Name: 3-methyl-5-(4-methylsulfanylphenyl)-6-pyridin-4-yl-2-[(E)-1,2,3,4-tetrahydroisoquinolin-3-ylmethylideneamino]pyrimidin-4-one Openeye Name: 3-methyl-5-(4-methylsulfanylphenyl)-6-(4-pyridyl)-2-[(E)-1,2,3,4-tetrahydroisoquinolin-3-ylmethyleneamino]pyrimidin-4-one CAS Name: 3-methyl-5-[4-(methylthio)phenyl]-6-pyridin-4-yl-2-[(E)-1,2,3,4-tetrahydroisoquinolin-3-ylmethylideneamino]-4-pyrimidinone IUPAC Name: 3-methyl-5-(4-methylsulfanylphenyl)-6-pyridin-4-yl-2-[(E)-1,2,3,4-tetrahydroisoquinolin-3-ylmethylideneamino]pyrimidin-4-one Traditional Name: 3-methyl-5-[4-(methylthio)phenyl]-6-(4-pyridyl)-2-[(E)-1,2,3,4-tetrahydroisoquinolin-3-ylmethyleneamino]pyrimidin-4-one Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1N=CC2CC3=CC=CC=C3CN2)C4=CC=NC=C4)C5=CC=C(C=C5)SC

Isomeric SMILES

CN1C(=O)C(=C(N=C1/N=C/C2CC3=CC=CC=C3CN2)C4=CC=NC=C4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C27H25N5OS/c1-32-26(33)24(18-7-9-23(34-2)10-8-18)25(19-11-13-28-14-12-19)31-27(32)30-17-22-15-20-5-3-4-6-21(20)16-29-22/h3-14,17,22,29H,15-16H2,1-2H3/b30-17+