2-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine hydrate

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine hydrate Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine hydrate CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-7H-purine hydrate IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine hydrate Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-7H-purine hydrate Formula: C32H38N12O3 MolecularWeight: 638.72272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C4C(=N3)N=CN4.COC1=CC=CC=C1N2CCN(CC2)C3=NC=C4C(=N3)N=CN4.O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C4C(=N3)N=CN4.COC1=CC=CC=C1N2CCN(CC2)C3=NC=C4C(=N3)N=CN4.O

InChI

InChI=1S/2C16H18N6O.H2O/c2*1-23-14-5-3-2-4-13(14)21-6-8-22(9-7-21)16-17-10-12-15(20-16)19-11-18-12;/h2*2-5,10-11H,6-9H2,1H3,(H,17,18,19,20);1H2