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

Systemtic Name: ethyl 4-[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-amino-6-(4-butylanilino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H30N6O2/c1-3-5-6-16-7-9-17(10-8-16)25-19-18(22)20(24-15-23-19)26-11-13-27(14-12-26)21(28)29-4-2/h7-10,15H,3-6,11-14,22H2,1-2H3,(H,23,24,25)