2-(2,6-dimethylheptyl)-9-(phenylmethyl)pyrimido[4,5-b]indole

Systemtic Name: 2-(2,6-dimethylheptyl)-9-(phenylmethyl)pyrimido[4,5-b]indole Openeye Name: 9-benzyl-2-(2,6-dimethylheptyl)pyrimido[4,5-b]indole CAS Name: 2-(2,6-dimethylheptyl)-9-(phenylmethyl)pyrimido[4,5-b]indole IUPAC Name: 9-benzyl-2-(2,6-dimethylheptyl)pyrimido[4,5-b]indole Traditional Name: 9-benzyl-2-(2,6-dimethylheptyl)pyrimid[4,5-b]indole Formula: C26H31N3 MolecularWeight: 385.54444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CC1=NC=C2C3=CC=CC=C3N(C2=N1)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CCCC(C)CC1=NC=C2C3=CC=CC=C3N(C2=N1)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3/c1-19(2)10-9-11-20(3)16-25-27-17-23-22-14-7-8-15-24(22)29(26(23)28-25)18-21-12-5-4-6-13-21/h4-8,12-15,17,19-20H,9-11,16,18H2,1-3H3