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

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-[(4-methoxyphenyl)methyl]pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-[(4-methoxyphenyl)methyl]pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-[(4-methoxyphenyl)methyl]-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-[(4-methoxyphenyl)methyl]pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-p-anisyl-N-piperonyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C27H23N5O4 MolecularWeight: 481.50262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H23N5O4/c1-34-18-9-6-16(7-10-18)14-32-20-5-3-2-4-19(20)23-24(28)30-25(31-26(23)32)27(33)29-13-17-8-11-21-22(12-17)36-15-35-21/h2-12H,13-15H2,1H3,(H,29,33)(H2,28,30,31)