2-morpholin-4-yl-7-(phenylmethyl)-3,9-dihydropurin-7-ium-6-one

Systemtic Name: 2-morpholin-4-yl-7-(phenylmethyl)-3,9-dihydropurin-7-ium-6-one Openeye Name: 7-benzyl-2-morpholino-3,9-dihydropurin-7-ium-6-one CAS Name: 2-(4-morpholinyl)-7-(phenylmethyl)-3,9-dihydropurin-7-ium-6-one IUPAC Name: 7-benzyl-2-morpholin-4-yl-3,9-dihydropurin-7-ium-6-one Traditional Name: 7-benzyl-2-morpholino-3,9-dihydropurin-7-ium-6-one Formula: C16H18N5O2+ MolecularWeight: 312.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=O)C3=C(N2)NC=[N+]3CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC(=O)C3=C(N2)NC=[N+]3CC4=CC=CC=C4

InChI

InChI=1S/C16H17N5O2/c22-15-13-14(18-16(19-15)20-6-8-23-9-7-20)17-11-21(13)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,19,22)/p+1