5-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 1-benzyl-6-hydroxy-5-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]pyrimidine-2,4-dione CAS Name: 6-hydroxy-5-[(E)-3-(1H-indol-3-yl)-1-oxoprop-2-enyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 1-benzyl-6-hydroxy-5-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]pyrimidine-2,4-dione Traditional Name: 1-benzyl-6-hydroxy-5-[(E)-3-(1H-indol-3-yl)acryloyl]pyrimidine-2,4-quinone Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)C(=O)C=CC3=CNC4=CC=CC=C43)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)C(=O)/C=C/C3=CNC4=CC=CC=C43)O

InChI

InChI=1S/C22H17N3O4/c26-18(11-10-15-12-23-17-9-5-4-8-16(15)17)19-20(27)24-22(29)25(21(19)28)13-14-6-2-1-3-7-14/h1-12,23,28H,13H2,(H,24,27,29)/b11-10+