ethyl 4-[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-amino-6-(3-methoxyanilino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-amino-6-(m-anisidino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H24N6O3 MolecularWeight: 372.42156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)N

InChI

InChI=1S/C18H24N6O3/c1-3-27-18(25)24-9-7-23(8-10-24)17-15(19)16(20-12-21-17)22-13-5-4-6-14(11-13)26-2/h4-6,11-12H,3,7-10,19H2,1-2H3,(H,20,21,22)