8-[di(piperidin-1-yl)amino]-7-[2-[[di(piperidin-1-yl)amino]methoxy]ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 8-[di(piperidin-1-yl)amino]-7-[2-[[di(piperidin-1-yl)amino]methoxy]ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 8-[bis(1-piperidyl)amino]-7-[2-[[bis(1-piperidyl)amino]methoxy]ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 8-[bis(1-piperidinyl)amino]-7-[2-[[bis(1-piperidinyl)amino]methoxy]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 8-[di(piperidin-1-yl)amino]-7-[2-[[di(piperidin-1-yl)amino]methoxy]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 8-(dipiperidinoamino)-7-[2-[(dipiperidinoamino)methoxy]ethyl]-1,3-dimethyl-xanthine hydrochloride Formula: C30H53ClN10O3 MolecularWeight: 637.26002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(N3CCCCC3)N4CCCCC4)CCOCN(N5CCCCC5)N6CCCCC6.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(N3CCCCC3)N4CCCCC4)CCOCN(N5CCCCC5)N6CCCCC6.Cl

InChI

InChI=1S/C30H52N10O3.ClH/c1-32-27-26(28(41)33(2)30(32)42)38(29(31-27)40(36-19-11-5-12-20-36)37-21-13-6-14-22-37)23-24-43-25-39(34-15-7-3-8-16-34)35-17-9-4-10-18-35;/h3-25H2,1-2H3;1H