10-methyl-10-(1-oxidanyl-2-phenyl-ethyl)-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-4-one

Systemtic Name: 10-methyl-10-(1-oxidanyl-2-phenyl-ethyl)-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-4-one Openeye Name: 10-(1-hydroxy-2-phenyl-ethyl)-10-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-4-one CAS Name: 10-(1-hydroxy-2-phenylethyl)-10-methyl-2-(4-pyrimidinyl)-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-4-one IUPAC Name: 10-(1-hydroxy-2-phenylethyl)-10-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-4-one Traditional Name: 10-(1-hydroxy-2-phenyl-ethyl)-10-methyl-2-(4-pyrimidyl)-6,7,8,9-tetrahydropyrimid[1,2-a]azepin-4-one Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCN2C1=NC(=CC2=O)C3=NC=NC=C3)C(CC4=CC=CC=C4)O

Isomeric SMILES

CC1(CCCCN2C1=NC(=CC2=O)C3=NC=NC=C3)C(CC4=CC=CC=C4)O

InChI

InChI=1S/C22H24N4O2/c1-22(19(27)13-16-7-3-2-4-8-16)10-5-6-12-26-20(28)14-18(25-21(22)26)17-9-11-23-15-24-17/h2-4,7-9,11,14-15,19,27H,5-6,10,12-13H2,1H3