9-methoxy-3-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Systemtic Name: 9-methoxy-3-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Openeye Name: 3-[(5-allyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-9-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione CAS Name: 9-methoxy-3-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methylamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione IUPAC Name: 9-methoxy-3-[(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methylamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Traditional Name: 3-[(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-9-methoxy-1,5-dihydropyrimid[5,4-b]indole-2,4-quinone Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(N2)C(=O)N(C(=O)N3)NC=C4C=CC=C(C4=O)CC=C

Isomeric SMILES

COC1=CC=CC2=C1C3=C(N2)C(=O)N(C(=O)N3)NC=C4C=CC=C(C4=O)CC=C

InChI

InChI=1S/C21H18N4O4/c1-3-6-12-7-4-8-13(19(12)26)11-22-25-20(27)18-17(24-21(25)28)16-14(23-18)9-5-10-15(16)29-2/h3-5,7-11,22-23H,1,6H2,2H3,(H,24,28)