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

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl-dipropyl-azanium Openeye Name: (7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)methyl-dipropyl-ammonium CAS Name: [3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]methyl-dipropylammonium IUPAC Name: (7-benzyl-3-methyl-2,6-dioxopurin-8-yl)methyl-dipropylazanium Traditional Name: (7-benzyl-2,6-diketo-3-methyl-purin-8-yl)methyl-dipropyl-ammonium Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2/c1-4-11-24(12-5-2)14-16-21-18-17(19(26)22-20(27)23(18)3)25(16)13-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3,(H,22,26,27)/p+1