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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl-(2-furylmethyl)-methyl-ammonium CAS Name: (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl-(2-furanylmethyl)-methylammonium IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl-(2-furfuryl)-methyl-ammonium Formula: C17H24N5O3+ MolecularWeight: 346.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+](C)CC3=CC=CO3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+](C)CC3=CC=CO3)C

InChI

InChI=1S/C17H23N5O3/c1-4-5-8-22-15-14(16(23)19-17(22)24)21(3)13(18-15)11-20(2)10-12-7-6-9-25-12/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,19,23,24)/p+1