4-azanyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide

Systemtic Name: 4-azanyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide Openeye Name: 4-amino-N-[4-(m-tolylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide CAS Name: 4-amino-N-[4-[[(3-methylanilino)-oxomethyl]amino]phenyl]-5-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-amino-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide Traditional Name: 4-amino-N-[4-(m-tolylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)NC(=O)C3=CSC4=NC=NC(=C34)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)NC(=O)C3=CSC4=NC=NC(=C34)N

InChI

InChI=1S/C21H18N6O2S/c1-12-3-2-4-15(9-12)27-21(29)26-14-7-5-13(6-8-14)25-19(28)16-10-30-20-17(16)18(22)23-11-24-20/h2-11H,1H3,(H,25,28)(H2,22,23,24)(H2,26,27,29)