4-azanyl-9-cyclohexyl-N-prop-2-enyl-pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-9-cyclohexyl-N-prop-2-enyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: N-allyl-4-amino-9-cyclohexyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-cyclohexyl-N-prop-2-enyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-cyclohexyl-N-prop-2-enylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: N-allyl-4-amino-9-cyclohexyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=NC2=C(C3=CC=CC=C3N2C4CCCCC4)C(=N1)N

Isomeric SMILES

C=CCNC(=O)C1=NC2=C(C3=CC=CC=C3N2C4CCCCC4)C(=N1)N

InChI

InChI=1S/C20H23N5O/c1-2-12-22-20(26)18-23-17(21)16-14-10-6-7-11-15(14)25(19(16)24-18)13-8-4-3-5-9-13/h2,6-7,10-11,13H,1,3-5,8-9,12H2,(H,22,26)(H2,21,23,24)