2-methyl-6-phenethyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride

Systemtic Name: 2-methyl-6-phenethyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 2-methyl-6-phenethyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 2-methyl-6-phenethyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 2-methyl-6-phenethyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 2-methyl-6-phenethyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C20H27ClN4O MolecularWeight: 374.90758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)CCC4=CC=CC=C4.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)CCC4=CC=CC=C4.O.Cl

InChI

InChI=1S/C20H24N4.ClH.H2O/c1-15-21-18-14-17(11-10-16-8-4-2-5-9-16)23-19(18)20(22-15)24-12-6-3-7-13-24;;/h2,4-5,8-9,14,23H,3,6-7,10-13H2,1H3;1H;1H2