ethyl 4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Openeye Name: ethyl 4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate CAS Name: 4-[oxo-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]methyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Traditional Name: 4-[(3-keto-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C1N=CN=C2C(=O)NCC3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCOC(=O)C1=CNC2=C1N=CN=C2C(=O)NCC3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C19H17N5O5/c1-2-28-19(27)11-7-20-16-15(11)22-9-23-17(16)18(26)21-6-10-3-4-13-12(5-10)24-14(25)8-29-13/h3-5,7,9,20H,2,6,8H2,1H3,(H,21,26)(H,24,25)