3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-homoveratryl-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H21N3O3/c1-13-4-6-16-15(10-13)19-20(23-16)21(25)24(12-22-19)9-8-14-5-7-17(26-2)18(11-14)27-3/h4-7,10-12,23H,8-9H2,1-3H3