3-butyl-1-methyl-9-(phenylmethyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione

Systemtic Name: 3-butyl-1-methyl-9-(phenylmethyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Openeye Name: 9-benzyl-3-butyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione CAS Name: 3-butyl-1-methyl-9-(phenylmethyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione IUPAC Name: 9-benzyl-3-butyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Traditional Name: 9-benzyl-3-butyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-quinone Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C20H25N5O2/c1-3-4-12-25-18(26)16-17(22(2)20(25)27)21-19-23(11-8-13-24(16)19)14-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3/p+1