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

Systemtic Name: 10-(1-oxidanyl-2-phenyl-ethyl)-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one Openeye Name: 10-(1-hydroxy-2-phenyl-ethyl)-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one CAS Name: 10-(1-hydroxy-2-phenylethyl)-2-(4-pyrimidinyl)-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one IUPAC Name: 10-(1-hydroxy-2-phenylethyl)-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one Traditional Name: 10-(1-hydroxy-2-phenyl-ethyl)-2-(4-pyrimidyl)-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-4-one Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=O)C=C(N=C2C(C1)C(CC3=CC=CC=C3)O)C4=NC=NC=C4

Isomeric SMILES

C1CCN2C(=O)C=C(N=C2C(C1)C(CC3=CC=CC=C3)O)C4=NC=NC=C4

InChI

InChI=1S/C21H22N4O2/c26-19(12-15-6-2-1-3-7-15)16-8-4-5-11-25-20(27)13-18(24-21(16)25)17-9-10-22-14-23-17/h1-3,6-7,9-10,13-14,16,19,26H,4-5,8,11-12H2