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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC5=CC=CC=C5)OC

InChI

InChI=1S/C26H23N5O3/c1-33-20-13-12-17(14-21(20)34-2)31-19-11-7-6-10-18(19)22-23(27)29-24(30-25(22)31)26(32)28-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,28,32)(H2,27,29,30)