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

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methyl-dipropyl-azanium Openeye Name: (3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)methyl-dipropyl-ammonium CAS Name: (3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)methyl-dipropylammonium IUPAC Name: (3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)methyl-dipropylazanium Traditional Name: (2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)methyl-dipropyl-ammonium Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCC[NH+](CCC)CC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H29N5O2/c1-4-12-25(13-5-2)15-17-22-19-18(20(27)23-21(28)24(19)3)26(17)14-11-16-9-7-6-8-10-16/h6-10H,4-5,11-15H2,1-3H3,(H,23,27,28)/p+1