ethanedioic acid; 2-[(4-phenylbutan-2-ylamino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: ethanedioic acid; 2-[(4-phenylbutan-2-ylamino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(1-methyl-3-phenyl-propyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one; oxalic acid CAS Name: oxalic acid; 2-[(4-phenylbutan-2-ylamino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: oxalic acid; 2-[(4-phenylbutan-2-ylamino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(1-methyl-3-phenyl-propyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one; oxalic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC2=NC(=O)C3=C(N2)C=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC2=NC(=O)C3=C(N2)C=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19N3OS.C2H2O4/c1-12(7-8-13-5-3-2-4-6-13)18-11-15-19-14-9-10-22-16(14)17(21)20-15;3-1(4)2(5)6/h2-6,9-10,12,18H,7-8,11H2,1H3,(H,19,20,21);(H,3,4)(H,5,6)