1-(dimethylamino)propan-2-yl 4-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoylamino]benzoate

Systemtic Name: 1-(dimethylamino)propan-2-yl 4-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoylamino]benzoate Openeye Name: [2-(dimethylamino)-1-methyl-ethyl] 4-[[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(2-amino-6-oxo-3H-purin-9-yl)-1-oxoethyl]amino]benzoic acid 1-(dimethylamino)propan-2-yl ester IUPAC Name: 1-(dimethylamino)propan-2-yl 4-[[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-amino-6-keto-3H-purin-9-yl)acetyl]amino]benzoic acid [2-(dimethylamino)-1-methyl-ethyl] ester Formula: C19H23N7O4 MolecularWeight: 413.43042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC(CN(C)C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C19H23N7O4/c1-11(8-25(2)3)30-18(29)12-4-6-13(7-5-12)22-14(27)9-26-10-21-15-16(26)23-19(20)24-17(15)28/h4-7,10-11H,8-9H2,1-3H3,(H,22,27)(H3,20,23,24,28)