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

Systemtic Name: 1-[[6-(3,5-dimethylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]-3-phenyl-thiourea Openeye Name: 1-[[6-(3,5-dimethylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]-3-phenyl-thiourea CAS Name: 1-[[6-(3,5-dimethylphenyl)-4-thieno[3,2-d]pyrimidinyl]amino]-3-phenylthiourea IUPAC Name: 1-[[6-(3,5-dimethylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]-3-phenylthiourea Traditional Name: 1-[[6-(3,5-dimethylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]-3-phenyl-thiourea Formula: C21H19N5S2 MolecularWeight: 405.53906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC3=C(S2)C(=NC=N3)NNC(=S)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC3=C(S2)C(=NC=N3)NNC(=S)NC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N5S2/c1-13-8-14(2)10-15(9-13)18-11-17-19(28-18)20(23-12-22-17)25-26-21(27)24-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,22,23,25)(H2,24,26,27)