[2-[(2-butoxyphenyl)amino]-4-propoxy-pyrimidin-5-yl]-imidazol-1-yl-methanone

Systemtic Name: [2-[(2-butoxyphenyl)amino]-4-propoxy-pyrimidin-5-yl]-imidazol-1-yl-methanone Openeye Name: [2-(2-butoxyanilino)-4-propoxy-pyrimidin-5-yl]-imidazol-1-yl-methanone CAS Name: [2-(2-butoxyanilino)-4-propoxy-5-pyrimidinyl]-(1-imidazolyl)methanone IUPAC Name: [2-(2-butoxyanilino)-4-propoxypyrimidin-5-yl]-imidazol-1-ylmethanone Traditional Name: [2-(2-butoxyanilino)-4-propoxy-pyrimidin-5-yl]-imidazol-1-yl-methanone Formula: C21H25N5O3 MolecularWeight: 395.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1NC2=NC=C(C(=N2)OCCC)C(=O)N3C=CN=C3

Isomeric SMILES

CCCCOC1=CC=CC=C1NC2=NC=C(C(=N2)OCCC)C(=O)N3C=CN=C3

InChI

InChI=1S/C21H25N5O3/c1-3-5-13-28-18-9-7-6-8-17(18)24-21-23-14-16(19(25-21)29-12-4-2)20(27)26-11-10-22-15-26/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,24,25)