methyl N-[3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]carbamate

Systemtic Name: methyl N-[3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]carbamate Openeye Name: methyl N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]carbamate CAS Name: N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]carbamate Traditional Name: N-[3-(4-keto-1,3-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]carbamic acid methyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)OC)C2=NC(=O)C3=C(NN(C3=N2)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)OC)C2=NC(=O)C3=C(NN(C3=N2)C)C

InChI

InChI=1S/C18H21N5O4/c1-5-8-27-13-7-6-11(19-18(25)26-4)9-12(13)15-20-16-14(17(24)21-15)10(2)22-23(16)3/h6-7,9,22H,5,8H2,1-4H3,(H,19,25)