2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]ethanone Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)N)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)N)C)OC)OC

InChI

InChI=1S/C21H29N5O3S/c1-14-9-17(28-3)18(29-4)11-16(14)12-25-5-7-26(8-6-25)20(27)13-30-21-23-15(2)10-19(22)24-21/h9-11H,5-8,12-13H2,1-4H3,(H2,22,23,24)