N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)adamantane-1-carboxamide

Systemtic Name: N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)adamantane-1-carboxamide Openeye Name: N-(5-methyl-8-morpholinosulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)adamantane-1-carboxamide CAS Name: N-[5-methyl-8-(4-morpholinylsulfonyl)-[1,2,4]triazino[5,6-b]indol-3-yl]-1-adamantanecarboxamide IUPAC Name: N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)adamantane-1-carboxamide Traditional Name: N-(5-methyl-8-morpholinosulfonyl-[1,2,4]triazin[5,6-b]indol-3-yl)adamantane-1-carboxamide Formula: C25H30N6O4S MolecularWeight: 510.6085

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=C1N=C(N=N4)NC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=C1N=C(N=N4)NC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C25H30N6O4S/c1-30-20-3-2-18(36(33,34)31-4-6-35-7-5-31)11-19(20)21-22(30)26-24(29-28-21)27-23(32)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-3,11,15-17H,4-10,12-14H2,1H3,(H,26,27,29,32)