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

Systemtic Name: 4-azanyl-9-(4-methylphenyl)-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-phenethyl-9-(p-tolyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-(4-methylphenyl)-N-phenethyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(4-methylphenyl)-N-phenethylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-N-phenethyl-9-(p-tolyl)pyrimid[4,5-b]indole-2-carboxamide Formula: C26H23N5O MolecularWeight: 421.49372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C26H23N5O/c1-17-11-13-19(14-12-17)31-21-10-6-5-9-20(21)22-23(27)29-24(30-25(22)31)26(32)28-16-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,28,32)(H2,27,29,30)