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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC(=NC3=C2NC(=C3)C4=CC=CC=C4)C.O.Cl

Isomeric SMILES

CCC1CCCCN1C2=NC(=NC3=C2NC(=C3)C4=CC=CC=C4)C.O.Cl

InChI

InChI=1S/C20H24N4.ClH.H2O/c1-3-16-11-7-8-12-24(16)20-19-18(21-14(2)22-20)13-17(23-19)15-9-5-4-6-10-15;;/h4-6,9-10,13,16,23H,3,7-8,11-12H2,1-2H3;1H;1H2