8-bromanyl-3-[(E)-pyridin-3-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Systemtic Name: 8-bromanyl-3-[(E)-pyridin-3-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Openeye Name: 8-bromo-3-[(E)-3-pyridylmethyleneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione CAS Name: 8-bromo-3-[(E)-3-pyridinylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione IUPAC Name: 8-bromo-3-[(E)-pyridin-3-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Traditional Name: 8-bromo-3-[(E)-3-pyridylmethyleneamino]-1,5-dihydropyrimid[5,4-b]indole-2,4-quinone Formula: C16H10BrN5O2 MolecularWeight: 384.1869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)Br)NC2=O

Isomeric SMILES

C1=CC(=CN=C1)/C=N/N2C(=O)C3=C(C4=C(N3)C=CC(=C4)Br)NC2=O

InChI

InChI=1S/C16H10BrN5O2/c17-10-3-4-12-11(6-10)13-14(20-12)15(23)22(16(24)21-13)19-8-9-2-1-5-18-7-9/h1-8,20H,(H,21,24)/b19-8+