N2-[3-(imidazol-1-ylmethyl)phenyl]-N4-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(imidazol-1-ylmethyl)phenyl]-N4-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(imidazol-1-ylmethyl)phenyl]-N4-(3-morpholinopropyl)pyrimidine-2,4-diamine CAS Name: N2-[3-(1-imidazolylmethyl)phenyl]-N4-[3-(4-morpholinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(imidazol-1-ylmethyl)phenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(imidazol-1-ylmethyl)anilino]pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

C1COCCN1CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C21H27N7O/c1-3-18(16-28-10-8-22-17-28)15-19(4-1)25-21-24-7-5-20(26-21)23-6-2-9-27-11-13-29-14-12-27/h1,3-5,7-8,10,15,17H,2,6,9,11-14,16H2,(H2,23,24,25,26)