2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-[(4-isopropylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-methyl-5-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 5-(4-isopropylbenzyl)-6-methyl-2-(4-piperonylpiperazino)-1H-pyrimidin-4-one Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)C(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C27H32N4O3/c1-18(2)22-7-4-20(5-8-22)14-23-19(3)28-27(29-26(23)32)31-12-10-30(11-13-31)16-21-6-9-24-25(15-21)34-17-33-24/h4-9,15,18H,10-14,16-17H2,1-3H3,(H,28,29,32)