3-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-prop-2-enyl-benzimidazol-5-amine

Systemtic Name: 3-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-prop-2-enyl-benzimidazol-5-amine Openeye Name: N-allyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine CAS Name: 3-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-prop-2-enyl-5-benzimidazolamine IUPAC Name: 3-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-prop-2-enylbenzimidazol-5-amine Traditional Name: allyl-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amine Formula: C22H22N6 MolecularWeight: 370.45028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=C(C=C4)NCC=C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=C(C=C4)NCC=C

InChI

InChI=1S/C22H22N6/c1-3-12-23-18-9-10-19-20(14-18)28(15-25-19)21-11-13-24-22(27-21)26-16(2)17-7-5-4-6-8-17/h3-11,13-16,23H,1,12H2,2H3,(H,24,26,27)