5-[(4-tert-butylphenyl)methyl]-6-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-tert-butylphenyl)methyl]-6-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 5-[(4-tert-butylphenyl)methyl]-6-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one CAS Name: 5-[(4-tert-butylphenyl)methyl]-6-methyl-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-tert-butylphenyl)methyl]-6-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 5-(4-tert-butylbenzyl)-6-methyl-2-(4-phenylpiperazino)-1H-pyrimidin-4-one Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H32N4O/c1-19-23(18-20-10-12-21(13-11-20)26(2,3)4)24(31)28-25(27-19)30-16-14-29(15-17-30)22-8-6-5-7-9-22/h5-13H,14-18H2,1-4H3,(H,27,28,31)