(3-aminocarbonylphenyl)methyl-[[4-[(3-methylphenyl)amino]pyrimidin-2-yl]amino]carbamic acid

Systemtic Name: (3-aminocarbonylphenyl)methyl-[[4-[(3-methylphenyl)amino]pyrimidin-2-yl]amino]carbamic acid Openeye Name: (3-carbamoylphenyl)methyl-[[4-(3-methylanilino)pyrimidin-2-yl]amino]carbamic acid CAS Name: (3-carbamoylphenyl)methyl-[[4-(3-methylanilino)-2-pyrimidinyl]amino]carbamic acid IUPAC Name: (3-carbamoylphenyl)methyl-[[4-(3-methylanilino)pyrimidin-2-yl]amino]carbamic acid Traditional Name: (3-carbamoylbenzyl)-[[4-(m-toluidino)pyrimidin-2-yl]amino]carbamic acid Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC=C2)NN(CC3=CC=CC(=C3)C(=O)N)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2)NN(CC3=CC=CC(=C3)C(=O)N)C(=O)O

InChI

InChI=1S/C20H20N6O3/c1-13-4-2-7-16(10-13)23-17-8-9-22-19(24-17)25-26(20(28)29)12-14-5-3-6-15(11-14)18(21)27/h2-11H,12H2,1H3,(H2,21,27)(H,28,29)(H2,22,23,24,25)