4-(2,3-dihydroindol-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride

Systemtic Name: 4-(2,3-dihydroindol-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 4-indolin-1-yl-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 4-(2,3-dihydroindol-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 4-(2,3-dihydroindol-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 4-indolin-1-yl-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C21H21ClN4O MolecularWeight: 380.87064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCC4=CC=CC=C43)NC(=C2)C5=CC=CC=C5.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCC4=CC=CC=C43)NC(=C2)C5=CC=CC=C5.O.Cl

InChI

InChI=1S/C21H18N4.ClH.H2O/c1-14-22-18-13-17(15-7-3-2-4-8-15)24-20(18)21(23-14)25-12-11-16-9-5-6-10-19(16)25;;/h2-10,13,24H,11-12H2,1H3;1H;1H2