4-azanyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-N-prop-2-enyl-pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-N-prop-2-enyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: N-allyl-4-amino-9-[2-(3,4-dimethoxyphenyl)ethyl]pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-[2-(3,4-dimethoxyphenyl)ethyl]-N-prop-2-enyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-[2-(3,4-dimethoxyphenyl)ethyl]-N-prop-2-enylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: N-allyl-4-amino-9-homoveratryl-pyrimid[4,5-b]indole-2-carboxamide Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC=C)OC

InChI

InChI=1S/C24H25N5O3/c1-4-12-26-24(30)22-27-21(25)20-16-7-5-6-8-17(16)29(23(20)28-22)13-11-15-9-10-18(31-2)19(14-15)32-3/h4-10,14H,1,11-13H2,2-3H3,(H,26,30)(H2,25,27,28)