2-[(1,3-benzodioxol-5-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C20H15N3O3S/c24-19-14-9-17(12-4-2-1-3-5-12)27-20(14)23-18(22-19)10-21-13-6-7-15-16(8-13)26-11-25-15/h1-9,21H,10-11H2,(H,22,23,24)