4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-(2,3-dimethylphenyl)pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-(2,3-dimethylphenyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(2,3-dimethylphenyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(2,3-dimethylphenyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(2,3-dimethylphenyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(2,3-dimethylphenyl)-N-piperonyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC5=CC6=C(C=C5)OCO6)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC5=CC6=C(C=C5)OCO6)C

InChI

InChI=1S/C27H23N5O3/c1-15-6-5-9-19(16(15)2)32-20-8-4-3-7-18(20)23-24(28)30-25(31-26(23)32)27(33)29-13-17-10-11-21-22(12-17)35-14-34-21/h3-12H,13-14H2,1-2H3,(H,29,33)(H2,28,30,31)