3-[[2-[(3-aminocarbonylphenyl)amino]pyrimidin-4-yl]amino]-N,N,4-trimethyl-benzamide

Systemtic Name: 3-[[2-[(3-aminocarbonylphenyl)amino]pyrimidin-4-yl]amino]-N,N,4-trimethyl-benzamide Openeye Name: 3-[[2-(3-carbamoylanilino)pyrimidin-4-yl]amino]-N,N,4-trimethyl-benzamide CAS Name: 3-[[2-(3-carbamoylanilino)-4-pyrimidinyl]amino]-N,N,4-trimethylbenzamide IUPAC Name: 3-[[2-(3-carbamoylanilino)pyrimidin-4-yl]amino]-N,N,4-trimethylbenzamide Traditional Name: 3-[[2-(3-carbamoylanilino)pyrimidin-4-yl]amino]-N,N,4-trimethyl-benzamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2/c1-13-7-8-15(20(29)27(2)3)12-17(13)25-18-9-10-23-21(26-18)24-16-6-4-5-14(11-16)19(22)28/h4-12H,1-3H3,(H2,22,28)(H2,23,24,25,26)