8-bromanyl-3-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-bromanyl-3-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[(5-allyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-8-bromo-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-bromo-3-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methylamino]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-bromo-3-[(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methylamino]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-8-bromo-5H-pyrimid[5,4-b]indol-4-one Formula: C20H15BrN4O2 MolecularWeight: 423.2627

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=CNN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br)C1=O

Isomeric SMILES

C=CCC1=CC=CC(=CNN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br)C1=O

InChI

InChI=1S/C20H15BrN4O2/c1-2-4-12-5-3-6-13(19(12)26)10-23-25-11-22-17-15-9-14(21)7-8-16(15)24-18(17)20(25)27/h2-3,5-11,23-24H,1,4H2