2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1,3-di(piperidin-1-yl)propane-1,3-dione

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1,3-di(piperidin-1-yl)propane-1,3-dione Openeye Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1,3-bis(1-piperidyl)propane-1,3-dione CAS Name: 2-[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-1,3-bis(1-piperidinyl)propane-1,3-dione IUPAC Name: 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-1,3-di(piperidin-1-yl)propane-1,3-dione Traditional Name: 2-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]thio]-1,3-dipiperidino-propane-1,3-dione Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SC(C(=O)N3CCCCC3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SC(C(=O)N3CCCCC3)C(=O)N4CCCCC4

InChI

InChI=1S/C25H32N4O3S/c1-18-17-21(19-9-11-20(32-2)12-10-19)27-25(26-18)33-22(23(30)28-13-5-3-6-14-28)24(31)29-15-7-4-8-16-29/h9-12,17,22H,3-8,13-16H2,1-2H3