N-(4-morpholin-4-ylphenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine

Systemtic Name: N-(4-morpholin-4-ylphenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine Openeye Name: N-(4-morpholinophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine CAS Name: N-[4-(4-morpholinyl)phenyl]-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-2-pyrimidinamine IUPAC Name: N-(4-morpholin-4-ylphenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine Traditional Name: (4-morpholinophenyl)-[4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-yl]amine Formula: C23H23N7O MolecularWeight: 413.47502

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC(=CC=C4)CN5C=NC=N5

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC(=CC=C4)CN5C=NC=N5

InChI

InChI=1S/C23H23N7O/c1-2-18(15-30-17-24-16-26-30)14-19(3-1)22-8-9-25-23(28-22)27-20-4-6-21(7-5-20)29-10-12-31-13-11-29/h1-9,14,16-17H,10-13,15H2,(H,25,27,28)