4-azanyl-N,9-diphenethyl-pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-N,9-diphenethyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N,9-diphenethyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N,9-diphenethyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N,9-diphenethylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-N,9-diphenethyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=NC3=C(C4=CC=CC=C4N3CCC5=CC=CC=C5)C(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=NC3=C(C4=CC=CC=C4N3CCC5=CC=CC=C5)C(=N2)N

InChI

InChI=1S/C27H25N5O/c28-24-23-21-13-7-8-14-22(21)32(18-16-20-11-5-2-6-12-20)26(23)31-25(30-24)27(33)29-17-15-19-9-3-1-4-10-19/h1-14H,15-18H2,(H,29,33)(H2,28,30,31)