2-[(4R)-4-(3,5-dimethoxyphenyl)-1-methyl-2,5-bis(oxidanylidene)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(4R)-4-(3,5-dimethoxyphenyl)-1-methyl-2,5-bis(oxidanylidene)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]ethyl-diethyl-azanium Openeye Name: 2-[(4R)-4-(3,5-dimethoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]ethyl-diethyl-ammonium CAS Name: 2-[(4R)-4-(3,5-dimethoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]ethyl-diethylammonium IUPAC Name: 2-[(4R)-4-(3,5-dimethoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]ethyl-diethylazanium Traditional Name: 2-[(4R)-4-(3,5-dimethoxyphenyl)-2,5-diketo-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]ethyl-diethyl-ammonium Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1CC2=C(C1=O)C(NC(=O)N2C)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC[NH+](CC)CCN1CC2=C(C1=O)[C@H](NC(=O)N2C)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H30N4O4/c1-6-24(7-2)8-9-25-13-17-18(20(25)26)19(22-21(27)23(17)3)14-10-15(28-4)12-16(11-14)29-5/h10-12,19H,6-9,13H2,1-5H3,(H,22,27)/p+1/t19-/m1/s1