ethyl 2-(4-methylpyrazol-1-yl)-4-[(phenylmethyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-methylpyrazol-1-yl)-4-[(phenylmethyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(benzylamino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(4-methyl-1-pyrazolyl)-4-[(phenylmethyl)amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzylamino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(benzylamino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC=C2)N3C=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC=C2)N3C=C(C=N3)C

InChI

InChI=1S/C18H19N5O2/c1-3-25-17(24)15-11-20-18(23-12-13(2)9-21-23)22-16(15)19-10-14-7-5-4-6-8-14/h4-9,11-12H,3,10H2,1-2H3,(H,19,20,22)