(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H19ClN4O5 MolecularWeight: 442.85236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCN3C=NC4=C(C3=O)C=NN4C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCN3C=NC4=C(C3=O)C=NN4C)Cl

InChI

InChI=1S/C21H19ClN4O5/c1-3-12-6-17-14(8-16(12)22)13(7-19(28)31-17)10-30-18(27)4-5-26-11-23-20-15(21(26)29)9-24-25(20)2/h6-9,11H,3-5,10H2,1-2H3