3-(3-imidazol-1-ylpropyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3-imidazol-1-ylpropyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[3-(1-imidazolyl)propyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3-imidazol-1-ylpropyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3-imidazol-1-ylpropyl)-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C17H17N5O MolecularWeight: 307.34978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCCN4C=CN=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCCN4C=CN=C4

InChI

InChI=1S/C17H17N5O/c1-12-3-4-14-13(9-12)15-16(20-14)17(23)22(11-19-15)7-2-6-21-8-5-18-10-21/h3-5,8-11,20H,2,6-7H2,1H3