5-(4-methoxyphenyl)-2-[[(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methoxyphenyl)-2-[[(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(benzylamino)methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methoxyphenyl)-2-[[(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(benzylamino)methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(benzylamino)methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CNCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CNCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c1-26-16-9-7-15(8-10-16)17-13-27-21-19(17)20(25)23-18(24-21)12-22-11-14-5-3-2-4-6-14/h2-10,13,22H,11-12H2,1H3,(H,23,24,25)