ethyl 4-[1-[2,4-bis(azanyl)pyrimidin-5-yl]piperidin-4-yl]benzoate

Systemtic Name: ethyl 4-[1-[2,4-bis(azanyl)pyrimidin-5-yl]piperidin-4-yl]benzoate Openeye Name: ethyl 4-[1-(2,4-diaminopyrimidin-5-yl)-4-piperidyl]benzoate CAS Name: 4-[1-(2,4-diamino-5-pyrimidinyl)-4-piperidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(2,4-diaminopyrimidin-5-yl)piperidin-4-yl]benzoate Traditional Name: 4-[1-(2,4-diaminopyrimidin-5-yl)-4-piperidyl]benzoic acid ethyl ester Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2CCN(CC2)C3=CN=C(N=C3N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2CCN(CC2)C3=CN=C(N=C3N)N

InChI

InChI=1S/C18H23N5O2/c1-2-25-17(24)14-5-3-12(4-6-14)13-7-9-23(10-8-13)15-11-21-18(20)22-16(15)19/h3-6,11,13H,2,7-10H2,1H3,(H4,19,20,21,22)