methyl 4-[[(7aR)-4-oxidanylidene-1-phenyl-5,7a-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methylcarbamoylamino]butanoate

Systemtic Name: methyl 4-[[(7aR)-4-oxidanylidene-1-phenyl-5,7a-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methylcarbamoylamino]butanoate Openeye Name: methyl 4-[[(7aR)-4-oxo-1-phenyl-5,7a-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methylcarbamoylamino]butanoate CAS Name: 4-[[[[(7aR)-4-oxo-1-phenyl-5,7a-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methylamino]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(7aR)-4-oxo-1-phenyl-5,7a-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methylcarbamoylamino]butanoate Traditional Name: 4-[[(7aR)-4-keto-1-phenyl-5,7a-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methylcarbamoylamino]butyric acid methyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)NCC1=NC2C(=CNN2C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

COC(=O)CCCNC(=O)NCC1=N[C@H]2C(=CNN2C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C18H22N6O4/c1-28-15(25)8-5-9-19-18(27)20-11-14-22-16-13(17(26)23-14)10-21-24(16)12-6-3-2-4-7-12/h2-4,6-7,10,16,21H,5,8-9,11H2,1H3,(H2,19,20,27)(H,22,23,26)/t16-/m1/s1