3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N,N-bis(2-oxidanylpropyl)benzamide

Systemtic Name: 3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N,N-bis(2-oxidanylpropyl)benzamide Openeye Name: N,N-bis(2-hydroxypropyl)-3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: N,N-bis(2-hydroxypropyl)-3-[[6-(3-methylanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: N,N-bis(2-hydroxypropyl)-3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: N,N-bis(2-hydroxypropyl)-3-[[6-(m-toluidino)pyrimidin-4-yl]amino]benzamide Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)N(CC(C)O)CC(C)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)N(CC(C)O)CC(C)O

InChI

InChI=1S/C24H29N5O3/c1-16-6-4-8-20(10-16)27-22-12-23(26-15-25-22)28-21-9-5-7-19(11-21)24(32)29(13-17(2)30)14-18(3)31/h4-12,15,17-18,30-31H,13-14H2,1-3H3,(H2,25,26,27,28)