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

Systemtic Name: 1-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-[6-amino-2-(4-pyridyl)purin-9-yl]-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol CAS Name: 1-(6-amino-2-pyridin-4-yl-9-purinyl)-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(6-amino-2-pyridin-4-ylpurin-9-yl)-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol Traditional Name: 1-[6-amino-2-(4-pyridyl)purin-9-yl]-3-(4-benzhydrylpiperazino)propan-2-ol Formula: C30H32N8O MolecularWeight: 520.62808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC3=C2N=C(N=C3N)C4=CC=NC=C4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC3=C2N=C(N=C3N)C4=CC=NC=C4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H32N8O/c31-28-26-30(35-29(34-28)24-11-13-32-14-12-24)38(21-33-26)20-25(39)19-36-15-17-37(18-16-36)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,21,25,27,39H,15-20H2,(H2,31,34,35)