N-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,1,3-benzoxadiazol-4-amine

Systemtic Name: N-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,1,3-benzoxadiazol-4-amine Openeye Name: N-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,1,3-benzoxadiazol-4-amine CAS Name: N-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,1,3-benzoxadiazol-4-amine IUPAC Name: N-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,1,3-benzoxadiazol-4-amine Traditional Name: benzofurazan-4-yl-(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)amine Formula: C18H14N6O3 MolecularWeight: 362.34216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=CC=CC5=NON=C54)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=CC=CC5=NON=C54)OC

InChI

InChI=1S/C18H14N6O3/c1-25-13-6-9-12(7-14(13)26-2)21-17-15(9)19-8-20-18(17)22-10-4-3-5-11-16(10)24-27-23-11/h3-8,21H,1-2H3,(H,19,20,22)