1,7-dimethyl-7-oxidanidyl-4-(phenylmethyl)-3-piperazin-1-yl-8,9-dihydropurin-7-ium-2-one

Systemtic Name: 1,7-dimethyl-7-oxidanidyl-4-(phenylmethyl)-3-piperazin-1-yl-8,9-dihydropurin-7-ium-2-one Openeye Name: 4-benzyl-1,7-dimethyl-7-oxido-3-piperazin-1-yl-8,9-dihydropurin-7-ium-2-one CAS Name: 1,7-dimethyl-7-oxido-4-(phenylmethyl)-3-(1-piperazinyl)-8,9-dihydropurin-7-ium-2-one IUPAC Name: 4-benzyl-1,7-dimethyl-7-oxido-3-piperazin-1-yl-8,9-dihydropurin-7-ium-2-one Traditional Name: 4-benzyl-1,7-dimethyl-7-oxido-3-piperazino-8,9-dihydropurin-7-ium-2-one Formula: C18H26N6O2 MolecularWeight: 358.43804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(NC[N+]2(C)[O-])(N(C1=O)N3CCNCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C2C(NC[N+]2(C)[O-])(N(C1=O)N3CCNCC3)CC4=CC=CC=C4

InChI

InChI=1S/C18H26N6O2/c1-21-13-16-18(20-14-24(16,2)26,12-15-6-4-3-5-7-15)23(17(21)25)22-10-8-19-9-11-22/h3-7,13,19-20H,8-12,14H2,1-2H3