4-[[2,4-bis(oxidanylidene)-3-propan-2-yl-thieno[3,2-d]pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2,4-bis(oxidanylidene)-3-propan-2-yl-thieno[3,2-d]pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(3-isopropyl-2,4-dioxo-thieno[3,2-d]pyrimidin-1-yl)methyl]benzonitrile CAS Name: 4-[(2,4-dioxo-3-propan-2-yl-1-thieno[3,2-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 4-[(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)methyl]benzonitrile Traditional Name: 4-[(3-isopropyl-2,4-diketo-thieno[3,2-d]pyrimidin-1-yl)methyl]benzonitrile Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=CS2)N(C1=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=CS2)N(C1=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H15N3O2S/c1-11(2)20-16(21)15-14(7-8-23-15)19(17(20)22)10-13-5-3-12(9-18)4-6-13/h3-8,11H,10H2,1-2H3