N-[(2,5-dimethoxyphenyl)methyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-3-methyl-3-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-3-methyl-3-(phenylmethylsulfanyl)butanamide Openeye Name: 3-benzylsulfanyl-N-[(2,5-dimethoxyphenyl)methyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-3-methyl-butanamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]-3-methyl-3-(phenylmethylthio)butanamide IUPAC Name: 3-benzylsulfanyl-N-[(2,5-dimethoxyphenyl)methyl]-2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide Traditional Name: 3-(benzylthio)-N-(2,5-dimethoxybenzyl)-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-3-methyl-butyramide Formula: C29H34N6O3S MolecularWeight: 546.68366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)NC(C(=O)NCC3=C(C=CC(=C3)OC)OC)C(C)(C)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)NC(C(=O)NCC3=C(C=CC(=C3)OC)OC)C(C)(C)SCC4=CC=CC=C4

InChI

InChI=1S/C29H34N6O3S/c1-20-15-25(34-28(32-20)35-14-13-30-19-35)33-26(29(2,3)39-18-21-9-7-6-8-10-21)27(36)31-17-22-16-23(37-4)11-12-24(22)38-5/h6-16,19,26H,17-18H2,1-5H3,(H,31,36)(H,32,33,34)