(4-cyclopentylpiperazin-1-yl)-[4-[(3,4-dimethoxyphenyl)amino]-2-phenyl-pyrimidin-5-yl]methanone

Systemtic Name: (4-cyclopentylpiperazin-1-yl)-[4-[(3,4-dimethoxyphenyl)amino]-2-phenyl-pyrimidin-5-yl]methanone Openeye Name: (4-cyclopentylpiperazin-1-yl)-[4-(3,4-dimethoxyanilino)-2-phenyl-pyrimidin-5-yl]methanone CAS Name: (4-cyclopentyl-1-piperazinyl)-[4-(3,4-dimethoxyanilino)-2-phenyl-5-pyrimidinyl]methanone IUPAC Name: (4-cyclopentylpiperazin-1-yl)-[4-(3,4-dimethoxyanilino)-2-phenylpyrimidin-5-yl]methanone Traditional Name: (4-cyclopentylpiperazino)-[4-(3,4-dimethoxyanilino)-2-phenyl-pyrimidin-5-yl]methanone Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2C(=O)N3CCN(CC3)C4CCCC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2C(=O)N3CCN(CC3)C4CCCC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H33N5O3/c1-35-24-13-12-21(18-25(24)36-2)30-27-23(19-29-26(31-27)20-8-4-3-5-9-20)28(34)33-16-14-32(15-17-33)22-10-6-7-11-22/h3-5,8-9,12-13,18-19,22H,6-7,10-11,14-17H2,1-2H3,(H,29,30,31)