2-[3-(3-chloranylpropyl)-4-oxidanylidene-6,7-diphenyl-pteridin-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[3-(3-chloranylpropyl)-4-oxidanylidene-6,7-diphenyl-pteridin-2-yl]isoindole-1,3-dione Openeye Name: 2-[3-(3-chloropropyl)-4-oxo-6,7-diphenyl-pteridin-2-yl]isoindoline-1,3-dione CAS Name: 2-[3-(3-chloropropyl)-4-oxo-6,7-diphenyl-2-pteridinyl]isoindole-1,3-dione IUPAC Name: 2-[3-(3-chloropropyl)-4-oxo-6,7-diphenylpteridin-2-yl]isoindole-1,3-dione Traditional Name: 2-[3-(3-chloropropyl)-4-keto-6,7-diphenyl-pteridin-2-yl]isoindoline-1,3-quinone Formula: C29H20ClN5O3 MolecularWeight: 521.9538

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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)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N=C2C4=CC=CC=C4)N=C(N(C3=O)CCCCl)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C29H20ClN5O3/c30-16-9-17-34-28(38)24-25(33-29(34)35-26(36)20-14-7-8-15-21(20)27(35)37)32-23(19-12-5-2-6-13-19)22(31-24)18-10-3-1-4-11-18/h1-8,10-15H,9,16-17H2