[2-azanyl-4-oxidanylidene-5-(phenylcarbonyl)-1,6,7,8-tetrahydropteridin-6-yl]methyl benzoate

Systemtic Name: [2-azanyl-4-oxidanylidene-5-(phenylcarbonyl)-1,6,7,8-tetrahydropteridin-6-yl]methyl benzoate Openeye Name: (2-amino-5-benzoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl benzoate CAS Name: benzoic acid (2-amino-5-benzoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl ester IUPAC Name: (2-amino-5-benzoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl benzoate Traditional Name: benzoic acid (2-amino-5-benzoyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl)methyl ester Formula: C21H19N5O4 MolecularWeight: 405.40666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(N1)NC(=NC2=O)N)C(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(N(C2=C(N1)NC(=NC2=O)N)C(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O4/c22-21-24-17-16(18(27)25-21)26(19(28)13-7-3-1-4-8-13)15(11-23-17)12-30-20(29)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H4,22,23,24,25,27)