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

Systemtic Name: 4-azanyl-9-(3-chlorophenyl)-N-prop-2-enyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: N-allyl-4-amino-9-(3-chlorophenyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-(3-chlorophenyl)-N-prop-2-enyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(3-chlorophenyl)-N-prop-2-enylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: N-allyl-4-amino-9-(3-chlorophenyl)pyrimid[4,5-b]indole-2-carboxamide Formula: C20H16ClN5O MolecularWeight: 377.82694

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=NC2=C(C3=CC=CC=C3N2C4=CC(=CC=C4)Cl)C(=N1)N

Isomeric SMILES

C=CCNC(=O)C1=NC2=C(C3=CC=CC=C3N2C4=CC(=CC=C4)Cl)C(=N1)N

InChI

InChI=1S/C20H16ClN5O/c1-2-10-23-20(27)18-24-17(22)16-14-8-3-4-9-15(14)26(19(16)25-18)13-7-5-6-12(21)11-13/h2-9,11H,1,10H2,(H,23,27)(H2,22,24,25)