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

Systemtic Name: 1-[9-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]purin-6-yl]pyrrole-2-carbonitrile Openeye Name: 1-[9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl]purin-6-yl]pyrrole-2-carbonitrile CAS Name: 1-[9-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropyl]-6-purinyl]-2-pyrrolecarbonitrile IUPAC Name: 1-[9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]purin-6-yl]pyrrole-2-carbonitrile Traditional Name: 1-[9-[3-(4-benzhydrylpiperazino)-2-hydroxy-propyl]purin-6-yl]pyrrole-2-carbonitrile Formula: C30H30N8O MolecularWeight: 518.6122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC3=C2N=CN=C3N4C=CC=C4C#N)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC3=C2N=CN=C3N4C=CC=C4C#N)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H30N8O/c31-18-25-12-7-13-38(25)30-27-29(32-21-33-30)37(22-34-27)20-26(39)19-35-14-16-36(17-15-35)28(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,21-22,26,28,39H,14-17,19-20H2