6-(2,3-dihydroindol-1-yl)-N4-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(2,3-dihydroindol-1-yl)-N4-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine Openeye Name: N4-(3-imidazol-1-ylpropyl)-6-indolin-1-yl-pyrimidine-4,5-diamine CAS Name: 6-(2,3-dihydroindol-1-yl)-N4-[3-(1-imidazolyl)propyl]pyrimidine-4,5-diamine IUPAC Name: 6-(2,3-dihydroindol-1-yl)-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine Traditional Name: (5-amino-6-indolin-1-yl-pyrimidin-4-yl)-(3-imidazol-1-ylpropyl)amine Formula: C18H21N7 MolecularWeight: 335.40624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NCCCN4C=CN=C4)N

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NCCCN4C=CN=C4)N

InChI

InChI=1S/C18H21N7/c19-16-17(21-7-3-9-24-11-8-20-13-24)22-12-23-18(16)25-10-6-14-4-1-2-5-15(14)25/h1-2,4-5,8,11-13H,3,6-7,9-10,19H2,(H,21,22,23)