1-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea CAS Name: 1-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea Traditional Name: 1-benzyl-3-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS2/c1-14-17(16-10-6-3-7-11-16)18-19(28-14)23-13-25(20(18)26)24-21(27)22-12-15-8-4-2-5-9-15/h2-11,13H,12H2,1H3,(H2,22,24,27)