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

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-7-phenacyl-purin-8-yl]methyl-dipropyl-azanium Openeye Name: (3-methyl-2,6-dioxo-7-phenacyl-purin-8-yl)methyl-dipropyl-ammonium CAS Name: (3-methyl-2,6-dioxo-7-phenacyl-8-purinyl)methyl-dipropylammonium IUPAC Name: (3-methyl-2,6-dioxo-7-phenacylpurin-8-yl)methyl-dipropylazanium Traditional Name: (2,6-diketo-3-methyl-7-phenacyl-purin-8-yl)methyl-dipropyl-ammonium Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCC[NH+](CCC)CC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H27N5O3/c1-4-11-25(12-5-2)14-17-22-19-18(20(28)23-21(29)24(19)3)26(17)13-16(27)15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3,(H,23,28,29)/p+1