N-[5-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]-2-methoxy-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]-2-methoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[5-[2-(3-aminoanilino)pyrimidin-4-yl]-2-methoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[5-[2-(3-aminoanilino)-4-pyrimidinyl]-2-methoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-[2-(3-aminoanilino)pyrimidin-4-yl]-2-methoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[5-[2-(3-aminoanilino)pyrimidin-4-yl]-2-methoxy-phenyl]thiophene-2-carboxamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC(=C3)N)NC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC(=C3)N)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H19N5O2S/c1-29-19-8-7-14(12-18(19)26-21(28)20-6-3-11-30-20)17-9-10-24-22(27-17)25-16-5-2-4-15(23)13-16/h2-13H,23H2,1H3,(H,26,28)(H,24,25,27)