3-(dimethylamino)-N-[2-[(2-methylphenyl)amino]-4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-5-yl]benzamide

Systemtic Name: 3-(dimethylamino)-N-[2-[(2-methylphenyl)amino]-4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-5-yl]benzamide Openeye Name: 3-(dimethylamino)-N-[2-(2-methylanilino)-4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-5-yl]benzamide CAS Name: 3-(dimethylamino)-N-[2-(2-methylanilino)-4-[3-(1-pyrrolidinyl)propylamino]-5-pyrimidinyl]benzamide IUPAC Name: 3-(dimethylamino)-N-[2-(2-methylanilino)-4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-5-yl]benzamide Traditional Name: 3-(dimethylamino)-N-[2-(o-toluidino)-4-(3-pyrrolidinopropylamino)pyrimidin-5-yl]benzamide Formula: C27H35N7O MolecularWeight: 473.6131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=C(C(=N2)NCCCN3CCCC3)NC(=O)C4=CC(=CC=C4)N(C)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=C(C(=N2)NCCCN3CCCC3)NC(=O)C4=CC(=CC=C4)N(C)C

InChI

InChI=1S/C27H35N7O/c1-20-10-4-5-13-23(20)31-27-29-19-24(25(32-27)28-14-9-17-34-15-6-7-16-34)30-26(35)21-11-8-12-22(18-21)33(2)3/h4-5,8,10-13,18-19H,6-7,9,14-17H2,1-3H3,(H,30,35)(H2,28,29,31,32)