5-methyl-3-(3-sulfanylpropyl)pyrimido[5,4-b]indol-4-one

Systemtic Name: 5-methyl-3-(3-sulfanylpropyl)pyrimido[5,4-b]indol-4-one Openeye Name: 5-methyl-3-(3-sulfanylpropyl)pyrimido[5,4-b]indol-4-one CAS Name: 3-(3-mercaptopropyl)-5-methyl-4-pyrimido[5,4-b]indolone IUPAC Name: 5-methyl-3-(3-sulfanylpropyl)pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3-mercaptopropyl)-5-methyl-pyrimid[5,4-b]indol-4-one Formula: C14H15N3OS MolecularWeight: 273.3534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CCCS

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CCCS

InChI

InChI=1S/C14H15N3OS/c1-16-11-6-3-2-5-10(11)12-13(16)14(18)17(9-15-12)7-4-8-19/h2-3,5-6,9,19H,4,7-8H2,1H3