4-butyl-6,6-diphenyl-isochromeno[3,4-d]pyrimidine-1,3-dione

Systemtic Name: 4-butyl-6,6-diphenyl-isochromeno[3,4-d]pyrimidine-1,3-dione Openeye Name: 4-butyl-6,6-diphenyl-isochromeno[3,4-d]pyrimidine-1,3-dione CAS Name: 4-butyl-6,6-diphenyl[2]benzopyrano[3,4-d]pyrimidine-1,3-dione IUPAC Name: 4-butyl-6,6-diphenylisochromeno[3,4-d]pyrimidine-1,3-dione Traditional Name: 4-butyl-6,6-diphenyl-isochromeno[3,4-d]pyrimidine-1,3-quinone Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C3=CC=CC=C3C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NC1=O

Isomeric SMILES

CCCCN1C2=C(C3=CC=CC=C3C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NC1=O

InChI

InChI=1S/C27H24N2O3/c1-2-3-18-29-25-23(24(30)28-26(29)31)21-16-10-11-17-22(21)27(32-25,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17H,2-3,18H2,1H3,(H,28,30,31)