4-azanyl-9-(3-morpholin-4-ylpropyl)-N-prop-2-enyl-pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-9-(3-morpholin-4-ylpropyl)-N-prop-2-enyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: N-allyl-4-amino-9-(3-morpholinopropyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-[3-(4-morpholinyl)propyl]-N-prop-2-enyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(3-morpholin-4-ylpropyl)-N-prop-2-enylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: N-allyl-4-amino-9-(3-morpholinopropyl)pyrimid[4,5-b]indole-2-carboxamide Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=NC2=C(C3=CC=CC=C3N2CCCN4CCOCC4)C(=N1)N

Isomeric SMILES

C=CCNC(=O)C1=NC2=C(C3=CC=CC=C3N2CCCN4CCOCC4)C(=N1)N

InChI

InChI=1S/C21H26N6O2/c1-2-8-23-21(28)19-24-18(22)17-15-6-3-4-7-16(15)27(20(17)25-19)10-5-9-26-11-13-29-14-12-26/h2-4,6-7H,1,5,8-14H2,(H,23,28)(H2,22,24,25)