3-[1-(2-azanyl-6-methyl-pyrimidin-4-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[1-(2-azanyl-6-methyl-pyrimidin-4-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[1-(2-amino-6-methyl-pyrimidine-4-carbonyl)-3-piperidyl]-1-(4-benzylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(2-amino-6-methyl-4-pyrimidinyl)-oxomethyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[1-(2-amino-6-methylpyrimidine-4-carbonyl)piperidin-3-yl]-1-(4-benzylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(2-amino-6-methyl-pyrimidine-4-carbonyl)-3-piperidyl]-1-(4-benzylpiperazino)propan-1-one Formula: C25H34N6O2 MolecularWeight: 450.57646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4)N

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4)N

InChI

InChI=1S/C25H34N6O2/c1-19-16-22(28-25(26)27-19)24(33)31-11-5-8-21(18-31)9-10-23(32)30-14-12-29(13-15-30)17-20-6-3-2-4-7-20/h2-4,6-7,16,21H,5,8-15,17-18H2,1H3,(H2,26,27,28)