[3-methyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium

Systemtic Name: [3-methyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium Openeye Name: [3-methyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]methyl-dipropyl-ammonium CAS Name: [3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]methyl-dipropylammonium IUPAC Name: [3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl-dipropylazanium Traditional Name: [2,6-diketo-3-methyl-7-(4-methylbenzyl)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(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCC[NH+](CCC)CC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H29N5O2/c1-5-11-25(12-6-2)14-17-22-19-18(20(27)23-21(28)24(19)4)26(17)13-16-9-7-15(3)8-10-16/h7-10H,5-6,11-14H2,1-4H3,(H,23,27,28)/p+1