8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-2-methoxy-1-phenethyl-purin-6-one hydrochloride

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-2-methoxy-1-phenethyl-purin-6-one hydrochloride Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-2-methoxy-1-phenethyl-purin-6-one hydrochloride CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-2-methoxy-1-phenethyl-6-purinone hydrochloride IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-2-methoxy-1-phenethylpurin-6-one hydrochloride Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-2-methoxy-1-phenethyl-purin-6-one hydrochloride Formula: C23H29ClN6O2 MolecularWeight: 456.96836

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N=C(N(C2=O)CCC4=CC=CC=C4)OC.Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N=C(N(C2=O)CCC4=CC=CC=C4)OC.Cl

InChI

InChI=1S/C23H28N6O2.ClH/c1-3-4-14-28-19-20(25-22(28)27-13-8-11-18(24)16-27)26-23(31-2)29(21(19)30)15-12-17-9-6-5-7-10-17;/h5-7,9-10,18H,8,11-16,24H2,1-2H3;1H