1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline; 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline; 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline; 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid Traditional Name: 1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinoline; 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid Formula: C33H41N5O8 MolecularWeight: 635.70734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OCC)OCC)OCC.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OCC)OCC)OCC.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O

InChI

InChI=1S/C24H31NO4.C9H10N4O4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h9-10,14-16H,5-8,11-13H2,1-4H3;4H,3H2,1-2H3,(H,14,15)