2-[(3-methylbutylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-methylbutylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(isopentylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-methylbutylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-methylbutylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(isoamylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC(C)CCNCC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C18H21N3OS/c1-12(2)8-9-19-11-16-20-17(22)14-10-15(23-18(14)21-16)13-6-4-3-5-7-13/h3-7,10,12,19H,8-9,11H2,1-2H3,(H,20,21,22)