ethyl 4-azanyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(5-piperazino-2-pyridyl)amino]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)NC2=NC=C(C=C2)N3CCNCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)NC2=NC=C(C=C2)N3CCNCC3

InChI

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