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

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]methyl-dipropyl-azanium Openeye Name: (7-allyl-3-methyl-2,6-dioxo-purin-8-yl)methyl-dipropyl-ammonium CAS Name: (3-methyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)methyl-dipropylammonium IUPAC Name: (3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)methyl-dipropylazanium Traditional Name: (7-allyl-2,6-diketo-3-methyl-purin-8-yl)methyl-dipropyl-ammonium Formula: C16H26N5O2+ MolecularWeight: 320.40994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CCC[NH+](CCC)CC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H25N5O2/c1-5-8-20(9-6-2)11-12-17-14-13(21(12)10-7-3)15(22)18-16(23)19(14)4/h7H,3,5-6,8-11H2,1-2,4H3,(H,18,22,23)/p+1