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

Systemtic Name: 4-azanyl-9-[(4-methoxyphenyl)methyl]-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-[(4-methoxyphenyl)methyl]-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-[(4-methoxyphenyl)methyl]-N-phenethyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-[(4-methoxyphenyl)methyl]-N-phenethylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-p-anisyl-N-phenethyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2/c1-34-20-13-11-19(12-14-20)17-32-22-10-6-5-9-21(22)23-24(28)30-25(31-26(23)32)27(33)29-16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,29,33)(H2,28,30,31)