2-azanyl-3-(3-chloranylpropyl)-6,7-diphenyl-pteridin-4-one

Systemtic Name: 2-azanyl-3-(3-chloranylpropyl)-6,7-diphenyl-pteridin-4-one Openeye Name: 2-amino-3-(3-chloropropyl)-6,7-diphenyl-pteridin-4-one CAS Name: 2-amino-3-(3-chloropropyl)-6,7-diphenyl-4-pteridinone IUPAC Name: 2-amino-3-(3-chloropropyl)-6,7-diphenylpteridin-4-one Traditional Name: 2-amino-3-(3-chloropropyl)-6,7-diphenyl-pteridin-4-one Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N=C2C4=CC=CC=C4)N=C(N(C3=O)CCCCl)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N=C2C4=CC=CC=C4)N=C(N(C3=O)CCCCl)N

InChI

InChI=1S/C21H18ClN5O/c22-12-7-13-27-20(28)18-19(26-21(27)23)25-17(15-10-5-2-6-11-15)16(24-18)14-8-3-1-4-9-14/h1-6,8-11H,7,12-13H2,(H2,23,25,26)