ethyl 4-[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7O2/c1-2-25-16(24)23-9-7-22(8-10-23)15-13(17)14(19-11-20-15)21-12-3-5-18-6-4-12/h3-6,11H,2,7-10,17H2,1H3,(H,18,19,20,21)