1-[[6-(1,3-benzodioxol-5-yl)thieno[3,2-d]pyrimidin-4-yl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[6-(1,3-benzodioxol-5-yl)thieno[3,2-d]pyrimidin-4-yl]amino]-3-phenyl-thiourea Openeye Name: 1-[[6-(1,3-benzodioxol-5-yl)thieno[3,2-d]pyrimidin-4-yl]amino]-3-phenyl-thiourea CAS Name: 1-[[6-(1,3-benzodioxol-5-yl)-4-thieno[3,2-d]pyrimidinyl]amino]-3-phenylthiourea IUPAC Name: 1-[[6-(1,3-benzodioxol-5-yl)thieno[3,2-d]pyrimidin-4-yl]amino]-3-phenylthiourea Traditional Name: 1-[[6-(1,3-benzodioxol-5-yl)thieno[3,2-d]pyrimidin-4-yl]amino]-3-phenyl-thiourea Formula: C20H15N5O2S2 MolecularWeight: 421.4954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC4=C(S3)C(=NC=N4)NNC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC4=C(S3)C(=NC=N4)NNC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C20H15N5O2S2/c28-20(23-13-4-2-1-3-5-13)25-24-19-18-14(21-10-22-19)9-17(29-18)12-6-7-15-16(8-12)27-11-26-15/h1-10H,11H2,(H,21,22,24)(H2,23,25,28)