2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-(4-benzyl-1-piperidyl)propan-1-one CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperidin-1-yl)propan-1-one Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-(4-benzylpiperidino)propan-1-one Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H26N4OS/c1-14-12-18(21)23-20(22-14)26-15(2)19(25)24-10-8-17(9-11-24)13-16-6-4-3-5-7-16/h3-7,12,15,17H,8-11,13H2,1-2H3,(H2,21,22,23)