ethyl 2-[[3-(3-chloranylpropyl)-4-oxidanylidene-6,7-diphenyl-pteridin-2-yl]carbamoyl]benzoate

Systemtic Name: ethyl 2-[[3-(3-chloranylpropyl)-4-oxidanylidene-6,7-diphenyl-pteridin-2-yl]carbamoyl]benzoate Openeye Name: ethyl 2-[[3-(3-chloropropyl)-4-oxo-6,7-diphenyl-pteridin-2-yl]carbamoyl]benzoate CAS Name: 2-[[[3-(3-chloropropyl)-4-oxo-6,7-diphenyl-2-pteridinyl]amino]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(3-chloropropyl)-4-oxo-6,7-diphenylpteridin-2-yl]carbamoyl]benzoate Traditional Name: 2-[[3-(3-chloropropyl)-4-keto-6,7-diphenyl-pteridin-2-yl]carbamoyl]benzoic acid ethyl ester Formula: C31H26ClN5O4 MolecularWeight: 568.02224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C(=O)NC2=NC3=C(C(=O)N2CCCCl)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C(=O)NC2=NC3=C(C(=O)N2CCCCl)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H26ClN5O4/c1-2-41-30(40)23-17-10-9-16-22(23)28(38)36-31-35-27-26(29(39)37(31)19-11-18-32)33-24(20-12-5-3-6-13-20)25(34-27)21-14-7-4-8-15-21/h3-10,12-17H,2,11,18-19H2,1H3,(H,34,35,36,38)