N-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]propanamide

Systemtic Name: N-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]propanamide Openeye Name: N-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]propanamide CAS Name: N-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methylthio]-2-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]propanamide IUPAC Name: N-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]propanamide Traditional Name: N-(cyclopropylmethyl)-3-[(3,4-dimethylbenzyl)thio]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]propionamide Formula: C24H30N6OS MolecularWeight: 450.5996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSCC(C(=O)NCC2CC2)NC3=NC(=NC(=C3)C)N4C=CN=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSCC(C(=O)NCC2CC2)NC3=NC(=NC(=C3)C)N4C=CN=C4)C

InChI

InChI=1S/C24H30N6OS/c1-16-4-5-20(10-17(16)2)13-32-14-21(23(31)26-12-19-6-7-19)28-22-11-18(3)27-24(29-22)30-9-8-25-15-30/h4-5,8-11,15,19,21H,6-7,12-14H2,1-3H3,(H,26,31)(H,27,28,29)