ethyl 4-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-oxidanylidene-3H-purin-9-yl]cyclohexene-1-carboxylate

Systemtic Name: ethyl 4-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-oxidanylidene-3H-purin-9-yl]cyclohexene-1-carboxylate Openeye Name: ethyl 4-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-oxo-3H-purin-9-yl]cyclohexene-1-carboxylate CAS Name: 4-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-3H-purin-9-yl]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-3H-purin-9-yl]cyclohexene-1-carboxylate Traditional Name: 4-[6-keto-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-3H-purin-9-yl]cyclohexene-1-carboxylic acid ethyl ester Formula: C34H33N5O4 MolecularWeight: 575.65692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC(CC1)N2C=NC3=C2NC(=NC3=O)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC

Isomeric SMILES

CCOC(=O)C1=CCC(CC1)N2C=NC3=C2NC(=NC3=O)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C34H33N5O4/c1-3-43-32(41)23-14-18-27(19-15-23)39-22-35-29-30(39)36-33(37-31(29)40)38-34(24-10-6-4-7-11-24,25-12-8-5-9-13-25)26-16-20-28(42-2)21-17-26/h4-14,16-17,20-22,27H,3,15,18-19H2,1-2H3,(H2,36,37,38,40)