3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-bromanyl-2-methyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-bromanyl-2-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-8-bromo-2-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-bromo-2-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-bromo-2-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-bromo-2-methyl-3-[(E)-piperonylideneamino]-5H-pyrimid[5,4-b]indol-4-one Formula: C19H13BrN4O3 MolecularWeight: 425.23552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1N=CC3=CC4=C(C=C3)OCO4)NC5=C2C=C(C=C5)Br

Isomeric SMILES

CC1=NC2=C(C(=O)N1/N=C/C3=CC4=C(C=C3)OCO4)NC5=C2C=C(C=C5)Br

InChI

InChI=1S/C19H13BrN4O3/c1-10-22-17-13-7-12(20)3-4-14(13)23-18(17)19(25)24(10)21-8-11-2-5-15-16(6-11)27-9-26-15/h2-8,23H,9H2,1H3/b21-8+