1-[9-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]purin-6-yl]pyrrole-3-carbaldehyde

Systemtic Name: 1-[9-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]purin-6-yl]pyrrole-3-carbaldehyde Openeye Name: 1-[9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl]purin-6-yl]pyrrole-3-carbaldehyde CAS Name: 1-[9-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropyl]-6-purinyl]-3-pyrrolecarboxaldehyde IUPAC Name: 1-[9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]purin-6-yl]pyrrole-3-carbaldehyde Traditional Name: 1-[9-[3-(4-benzhydrylpiperazino)-2-hydroxy-propyl]purin-6-yl]pyrrole-3-carbaldehyde Formula: C30H31N7O2 MolecularWeight: 521.61284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC3=C2N=CN=C3N4C=CC(=C4)C=O)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC3=C2N=CN=C3N4C=CC(=C4)C=O)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H31N7O2/c38-20-23-11-12-36(17-23)29-27-30(32-21-31-29)37(22-33-27)19-26(39)18-34-13-15-35(16-14-34)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-12,17,20-22,26,28,39H,13-16,18-19H2