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

Systemtic Name: 4-azanyl-9-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-(3,4-dimethoxyphenyl)-N-(m-tolyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(3,4-dimethoxyphenyl)-N-(m-tolyl)pyrimid[4,5-b]indole-2-carboxamide Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=NC3=C(C4=CC=CC=C4N3C5=CC(=C(C=C5)OC)OC)C(=N2)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=NC3=C(C4=CC=CC=C4N3C5=CC(=C(C=C5)OC)OC)C(=N2)N

InChI

InChI=1S/C26H23N5O3/c1-15-7-6-8-16(13-15)28-26(32)24-29-23(27)22-18-9-4-5-10-19(18)31(25(22)30-24)17-11-12-20(33-2)21(14-17)34-3/h4-14H,1-3H3,(H,28,32)(H2,27,29,30)