[4-[[5-aminocarbonyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]methylcarbamic acid

Systemtic Name: [4-[[5-aminocarbonyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]methylcarbamic acid Openeye Name: [4-[[5-carbamoyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]methylcarbamic acid CAS Name: [4-[[5-carbamoyl-4-(3-methylanilino)-2-pyrimidinyl]amino]phenyl]methylcarbamic acid IUPAC Name: [4-[[5-carbamoyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]methylcarbamic acid Traditional Name: [4-[[5-carbamoyl-4-(m-toluidino)pyrimidin-2-yl]amino]benzyl]carbamic acid Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)CNC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)CNC(=O)O

InChI

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