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

Systemtic Name: 4-azanyl-9-(3,4-dimethoxyphenyl)-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-(3,4-dimethoxyphenyl)-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-(3,4-dimethoxyphenyl)-N-phenethyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(3,4-dimethoxyphenyl)-N-phenethylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(3,4-dimethoxyphenyl)-N-phenethyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCCC5=CC=CC=C5)OC

InChI

InChI=1S/C27H25N5O3/c1-34-21-13-12-18(16-22(21)35-2)32-20-11-7-6-10-19(20)23-24(28)30-25(31-26(23)32)27(33)29-15-14-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3,(H,29,33)(H2,28,30,31)