8-[4-(diphenylmethyl)piperazin-1-yl]-9-(oxan-2-yl)-6-propoxy-3H-purin-2-one

Systemtic Name: 8-[4-(diphenylmethyl)piperazin-1-yl]-9-(oxan-2-yl)-6-propoxy-3H-purin-2-one Openeye Name: 8-(4-benzhydrylpiperazin-1-yl)-6-propoxy-9-tetrahydropyran-2-yl-3H-purin-2-one CAS Name: 8-[4-(diphenylmethyl)-1-piperazinyl]-9-(2-oxanyl)-6-propoxy-3H-purin-2-one IUPAC Name: 8-(4-benzhydrylpiperazin-1-yl)-9-(oxan-2-yl)-6-propoxy-3H-purin-2-one Traditional Name: 8-(4-benzhydrylpiperazino)-6-propoxy-9-tetrahydropyran-2-yl-3H-purin-2-one Formula: C30H36N6O3 MolecularWeight: 528.64524

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=O)NC2=C1N=C(N2C3CCCCO3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCOC1=NC(=O)NC2=C1N=C(N2C3CCCCO3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H36N6O3/c1-2-20-39-28-25-27(32-29(37)33-28)36(24-15-9-10-21-38-24)30(31-25)35-18-16-34(17-19-35)26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,24,26H,2,9-10,15-21H2,1H3,(H,32,33,37)