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

Systemtic Name: 4-azanyl-N-(3,4-dimethylphenyl)-9-(phenylmethyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-benzyl-N-(3,4-dimethylphenyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(3,4-dimethylphenyl)-9-(phenylmethyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-benzyl-N-(3,4-dimethylphenyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-benzyl-N-(3,4-dimethylphenyl)pyrimid[4,5-b]indole-2-carboxamide Formula: C26H23N5O MolecularWeight: 421.49372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)C(=N2)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)C(=N2)N)C

InChI

InChI=1S/C26H23N5O/c1-16-12-13-19(14-17(16)2)28-26(32)24-29-23(27)22-20-10-6-7-11-21(20)31(25(22)30-24)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,28,32)(H2,27,29,30)