3-[3-[butyl-(phenylmethyl)amino]propyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[3-[butyl-(phenylmethyl)amino]propyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[3-[benzyl(butyl)amino]propyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[3-[butyl-(phenylmethyl)amino]propyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[3-[benzyl(butyl)amino]propyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-[benzyl(butyl)amino]propyl]-7-methoxy-5H-pyrimid[5,4-b]indol-4-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCN1C=NC2=C(C1=O)NC3=C2C=CC(=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CCCCN(CCCN1C=NC2=C(C1=O)NC3=C2C=CC(=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-3-4-13-28(17-19-9-6-5-7-10-19)14-8-15-29-18-26-23-21-12-11-20(31-2)16-22(21)27-24(23)25(29)30/h5-7,9-12,16,18,27H,3-4,8,13-15,17H2,1-2H3