1-[6,8-bis(azanyl)purin-9-yl]-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-[6,8-bis(azanyl)purin-9-yl]-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(6,8-diaminopurin-9-yl)propan-2-ol CAS Name: 1-(6,8-diamino-9-purinyl)-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(6,8-diaminopurin-9-yl)propan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-(6,8-diaminopurin-9-yl)propan-2-ol Formula: C25H30N8O MolecularWeight: 458.5587

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C3=C(C(=NC=N3)N)N=C2N)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CN2C3=C(C(=NC=N3)N)N=C2N)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N8O/c26-23-21-24(29-17-28-23)33(25(27)30-21)16-20(34)15-31-11-13-32(14-12-31)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20,22,34H,11-16H2,(H2,27,30)(H2,26,28,29)