2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazinyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-2-[4-(4-methoxyphenyl)piperazino]-6-methyl-1H-pyrimidin-4-one Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=C(C=C3)OC)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=C(C=C3)OC)CCC(C)C

InChI

InChI=1S/C21H30N4O2/c1-15(2)5-10-19-16(3)22-21(23-20(19)26)25-13-11-24(12-14-25)17-6-8-18(27-4)9-7-17/h6-9,15H,5,10-14H2,1-4H3,(H,22,23,26)