5-(1,3-benzodioxol-5-yl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-[(2-methyl-1-piperidyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(1,3-benzodioxol-5-yl)-2-[(2-methyl-1-piperidinyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-[(2-methylpiperidino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=NC3=C(C(=CS3)C4=CC5=C(C=C4)OCO5)C(=O)N2

Isomeric SMILES

CC1CCCCN1CC2=NC3=C(C(=CS3)C4=CC5=C(C=C4)OCO5)C(=O)N2

InChI

InChI=1S/C20H21N3O3S/c1-12-4-2-3-7-23(12)9-17-21-19(24)18-14(10-27-20(18)22-17)13-5-6-15-16(8-13)26-11-25-15/h5-6,8,10,12H,2-4,7,9,11H2,1H3,(H,21,22,24)