phenyl N'-[4-(4-azanyl-6-methyl-thieno[2,3-d]pyrimidin-5-yl)phenyl]-N-cyano-carbamimidate

Systemtic Name: phenyl N'-[4-(4-azanyl-6-methyl-thieno[2,3-d]pyrimidin-5-yl)phenyl]-N-cyano-carbamimidate Openeye Name: 3-[4-(4-amino-6-methyl-thieno[2,3-d]pyrimidin-5-yl)phenyl]-1-cyano-2-phenyl-isourea CAS Name: N'-[4-(4-amino-6-methyl-5-thieno[2,3-d]pyrimidinyl)phenyl]-N-cyanocarbamimidic acid phenyl ester IUPAC Name: phenyl N'-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-N-cyanocarbamimidate Traditional Name: 3-[4-(4-amino-6-methyl-thieno[2,3-d]pyrimidin-5-yl)phenyl]-1-cyano-2-phenyl-isourea Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N)C3=CC=C(C=C3)N=C(NC#N)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N)C3=CC=C(C=C3)N=C(NC#N)OC4=CC=CC=C4

InChI

InChI=1S/C21H16N6OS/c1-13-17(18-19(23)25-12-26-20(18)29-13)14-7-9-15(10-8-14)27-21(24-11-22)28-16-5-3-2-4-6-16/h2-10,12H,1H3,(H,24,27)(H2,23,25,26)