ethyl 4-[2-[4-(butylamino)phenyl]ethylamino]-6-ethyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[4-(butylamino)phenyl]ethylamino]-6-ethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[4-(butylamino)phenyl]ethylamino]-6-ethyl-pyrimidine-5-carboxylate CAS Name: 4-[2-[4-(butylamino)phenyl]ethylamino]-6-ethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(butylamino)phenyl]ethylamino]-6-ethylpyrimidine-5-carboxylate Traditional Name: 4-[2-[4-(butylamino)phenyl]ethylamino]-6-ethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)CCNC2=NC=NC(=C2C(=O)OCC)CC

Isomeric SMILES

CCCCNC1=CC=C(C=C1)CCNC2=NC=NC(=C2C(=O)OCC)CC

InChI

InChI=1S/C21H30N4O2/c1-4-7-13-22-17-10-8-16(9-11-17)12-14-23-20-19(21(26)27-6-3)18(5-2)24-15-25-20/h8-11,15,22H,4-7,12-14H2,1-3H3,(H,23,24,25)