2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-7H-purine hydrate

Systemtic Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-7H-purine hydrate Openeye Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-7H-purine hydrate CAS Name: 2-[4-(3,3-diphenylpropyl)-1-piperazinyl]-7H-purine hydrate IUPAC Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-7H-purine hydrate Traditional Name: 2-[4-(3,3-diphenylpropyl)piperazino]-7H-purine hydrate Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=C5C(=N4)N=CN5.O

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=C5C(=N4)N=CN5.O

InChI

InChI=1S/C24H26N6.H2O/c1-3-7-19(8-4-1)21(20-9-5-2-6-10-20)11-12-29-13-15-30(16-14-29)24-25-17-22-23(28-24)27-18-26-22;/h1-10,17-18,21H,11-16H2,(H,25,26,27,28);1H2