N-[4-(1-adamantyl)phenyl]-3-azanyl-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3-azanyl-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-3-amino-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-3-amino-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)N

Isomeric SMILES

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)N

InChI

InChI=1S/C27H31N3O2S/c1-15-7-19(14-32-2)22-23(28)24(33-26(22)29-15)25(31)30-21-5-3-20(4-6-21)27-11-16-8-17(12-27)10-18(9-16)13-27/h3-7,16-18H,8-14,28H2,1-2H3,(H,30,31)