methyl N-[3-[[5-aminocarbonyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]carbamate

Systemtic Name: methyl N-[3-[[5-aminocarbonyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]carbamate Openeye Name: methyl N-[3-[[5-carbamoyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]carbamate CAS Name: N-[3-[[5-carbamoyl-4-(cyclopropylamino)-2-pyrimidinyl]amino]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[[5-carbamoyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]carbamate Traditional Name: N-[3-[[5-carbamoyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]carbamic acid methyl ester Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=CC(=C1)NC2=NC=C(C(=N2)NC3CC3)C(=O)N

Isomeric SMILES

COC(=O)NC1=CC=CC(=C1)NC2=NC=C(C(=N2)NC3CC3)C(=O)N

InChI

InChI=1S/C16H18N6O3/c1-25-16(24)21-11-4-2-3-10(7-11)20-15-18-8-12(13(17)23)14(22-15)19-9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H2,17,23)(H,21,24)(H2,18,19,20,22)