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

Systemtic Name: methyl 3-[[(7aR)-4-oxidanylidene-1-phenyl-5,7a-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methylcarbamoylamino]propanoate Openeye Name: methyl 3-[[(7aR)-4-oxo-1-phenyl-5,7a-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methylcarbamoylamino]propanoate CAS Name: 3-[[[[(7aR)-4-oxo-1-phenyl-5,7a-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methylamino]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(7aR)-4-oxo-1-phenyl-5,7a-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methylcarbamoylamino]propanoate Traditional Name: 3-[[(7aR)-4-keto-1-phenyl-5,7a-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methylcarbamoylamino]propionic acid methyl ester Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O4/c1-27-14(24)7-8-18-17(26)19-10-13-21-15-12(16(25)22-13)9-20-23(15)11-5-3-2-4-6-11/h2-6,9,15,20H,7-8,10H2,1H3,(H2,18,19,26)(H,21,22,25)/t15-/m1/s1