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

Systemtic Name: [[7-butyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-cinnamylidene-azanium Openeye Name: [(7-butyl-3-methyl-2,6-dioxo-purin-8-yl)amino]-cinnamylidene-ammonium CAS Name: [(7-butyl-3-methyl-2,6-dioxo-8-purinyl)amino]-cinnamylideneammonium IUPAC Name: [(7-butyl-3-methyl-2,6-dioxopurin-8-yl)amino]-cinnamylideneazanium Traditional Name: [(7-butyl-2,6-diketo-3-methyl-purin-8-yl)amino]-cinnamylidene-ammonium Formula: C19H23N6O2+ MolecularWeight: 367.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N[NH+]=CC=CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N[NH+]=CC=CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H22N6O2/c1-3-4-13-25-15-16(24(2)19(27)22-17(15)26)21-18(25)23-20-12-8-11-14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H,21,23)(H,22,26,27)/p+1