methyl (Z)-4-ethoxy-2-oxidanylidene-4-[9-(phenylmethyl)purin-6-yl]but-3-enoate

Systemtic Name: methyl (Z)-4-ethoxy-2-oxidanylidene-4-[9-(phenylmethyl)purin-6-yl]but-3-enoate Openeye Name: methyl (Z)-4-(9-benzylpurin-6-yl)-4-ethoxy-2-oxo-but-3-enoate CAS Name: (Z)-4-ethoxy-2-oxo-4-[9-(phenylmethyl)-6-purinyl]-3-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(9-benzylpurin-6-yl)-4-ethoxy-2-oxobut-3-enoate Traditional Name: (Z)-4-(9-benzylpurin-6-yl)-4-ethoxy-2-keto-but-3-enoic acid methyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)C(=O)OC)C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCO/C(=C\C(=O)C(=O)OC)/C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O4/c1-3-27-15(9-14(24)19(25)26-2)16-17-18(21-11-20-16)23(12-22-17)10-13-7-5-4-6-8-13/h4-9,11-12H,3,10H2,1-2H3/b15-9-