methyl 3-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H21N5O4/c1-23-18-14(11-21-23)19(27)24(12-20-18)9-8-16(25)22-15(10-17(26)28-2)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3,(H,22,25)