[7-butyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium

Systemtic Name: [7-butyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium Openeye Name: (7-butyl-3-methyl-2,6-dioxo-purin-8-yl)methyl-dipropyl-ammonium CAS Name: (7-butyl-3-methyl-2,6-dioxo-8-purinyl)methyl-dipropylammonium IUPAC Name: (7-butyl-3-methyl-2,6-dioxopurin-8-yl)methyl-dipropylazanium Traditional Name: (7-butyl-2,6-diketo-3-methyl-purin-8-yl)methyl-dipropyl-ammonium Formula: C17H30N5O2+ MolecularWeight: 336.4524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CCC)CCC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CCC)CCC

InChI

InChI=1S/C17H29N5O2/c1-5-8-11-22-13(12-21(9-6-2)10-7-3)18-15-14(22)16(23)19-17(24)20(15)4/h5-12H2,1-4H3,(H,19,23,24)/p+1