ethyl (2Z)-2-[(2-formamido-6-phenylmethoxy-purin-9-yl)methylidene]cyclopropane-1-carboxylate

Systemtic Name: ethyl (2Z)-2-[(2-formamido-6-phenylmethoxy-purin-9-yl)methylidene]cyclopropane-1-carboxylate Openeye Name: ethyl (2Z)-2-[(6-benzyloxy-2-formamido-purin-9-yl)methylene]cyclopropanecarboxylate CAS Name: (2Z)-2-[(2-formamido-6-phenylmethoxy-9-purinyl)methylidene]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[(2-formamido-6-phenylmethoxypurin-9-yl)methylidene]cyclopropane-1-carboxylate Traditional Name: (2Z)-2-[(6-benzoxy-2-formamido-purin-9-yl)methylene]cyclopropanecarboxylic acid ethyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1=CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)NC=O

Isomeric SMILES

CCOC(=O)C\1C/C1=C/N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)NC=O

InChI

InChI=1S/C20H19N5O4/c1-2-28-19(27)15-8-14(15)9-25-11-21-16-17(25)23-20(22-12-26)24-18(16)29-10-13-6-4-3-5-7-13/h3-7,9,11-12,15H,2,8,10H2,1H3,(H,22,23,24,26)/b14-9-