4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-2-(4-methylphenyl)-5-prop-2-ynyl-pyrimidine

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-2-(4-methylphenyl)-5-prop-2-ynyl-pyrimidine Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-5-prop-2-ynyl-2-(p-tolyl)pyrimidine CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-methyl-2-(4-methylphenyl)-5-prop-2-ynylpyrimidine IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-2-(4-methylphenyl)-5-prop-2-ynylpyrimidine Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-6-methyl-5-propargyl-2-(p-tolyl)pyrimidine Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC#C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC#C)C

InChI

InChI=1S/C26H28N4O/c1-5-6-24-20(3)27-25(21-9-7-19(2)8-10-21)28-26(24)30-17-15-29(16-18-30)22-11-13-23(31-4)14-12-22/h1,7-14H,6,15-18H2,2-4H3