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

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-prop-2-enyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 9-allyl-4-amino-N-(1,3-benzodioxol-5-ylmethyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-prop-2-enyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-prop-2-enylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 9-allyl-4-amino-N-piperonyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C22H19N5O3 MolecularWeight: 401.41796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2C3=C1N=C(N=C3N)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CCN1C2=CC=CC=C2C3=C1N=C(N=C3N)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19N5O3/c1-2-9-27-15-6-4-3-5-14(15)18-19(23)25-20(26-21(18)27)22(28)24-11-13-7-8-16-17(10-13)30-12-29-16/h2-8,10H,1,9,11-12H2,(H,24,28)(H2,23,25,26)