ethyl 2-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 2-[[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 2-[3-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]-3-phenyl-propionic acid ethyl ester Formula: C19H22N6O4 MolecularWeight: 398.41578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C19H22N6O4/c1-2-29-18(28)13(10-12-6-4-3-5-7-12)22-14(26)8-9-25-11-21-15-16(25)23-19(20)24-17(15)27/h3-7,11,13H,2,8-10H2,1H3,(H,22,26)(H3,20,23,24,27)