ethyl 4-azanyl-2-(4-butoxyphenyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(4-butoxyphenyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(4-butoxyphenyl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-(4-butoxyphenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(4-butoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(4-butoxyphenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C17H21N3O3/c1-3-5-10-23-13-8-6-12(7-9-13)16-19-11-14(15(18)20-16)17(21)22-4-2/h6-9,11H,3-5,10H2,1-2H3,(H2,18,19,20)