2-dimethylaminoethyl 3-[(6-azanyl-7-butoxy-2-oxidanylidene-3,8-dihydro-1H-purin-8-yl)methyl]benzoate

Systemtic Name: 2-dimethylaminoethyl 3-[(6-azanyl-7-butoxy-2-oxidanylidene-3,8-dihydro-1H-purin-8-yl)methyl]benzoate Openeye Name: 2-dimethylaminoethyl 3-[(6-amino-7-butoxy-2-oxo-3,8-dihydro-1H-purin-8-yl)methyl]benzoate CAS Name: 3-[(6-amino-7-butoxy-2-oxo-3,8-dihydro-1H-purin-8-yl)methyl]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3-[(6-amino-7-butoxy-2-oxo-3,8-dihydro-1H-purin-8-yl)methyl]benzoate Traditional Name: 3-[(6-amino-7-butoxy-2-keto-3,8-dihydro-1H-purin-8-yl)methyl]benzoic acid 2-dimethylaminoethyl ester Formula: C21H30N6O4 MolecularWeight: 430.5007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCON1C(N=C2C1=C(NC(=O)N2)N)CC3=CC=CC(=C3)C(=O)OCCN(C)C

Isomeric SMILES

CCCCON1C(N=C2C1=C(NC(=O)N2)N)CC3=CC=CC(=C3)C(=O)OCCN(C)C

InChI

InChI=1S/C21H30N6O4/c1-4-5-10-31-27-16(23-19-17(27)18(22)24-21(29)25-19)13-14-7-6-8-15(12-14)20(28)30-11-9-26(2)3/h6-8,12,16H,4-5,9-11,13H2,1-3H3,(H4,22,23,24,25,29)