ethyl 5-azanyl-2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate

Systemtic Name: ethyl 5-azanyl-2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate Openeye Name: ethyl 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate CAS Name: 5-amino-2-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate Traditional Name: 5-amino-2-[[4-(cyclopropanecarbonylamino)phenyl]thio]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylic acid ethyl ester Formula: C21H23N7O3S MolecularWeight: 453.51742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CC3)NC4=NNC(=C4)C)N

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CC3)NC4=NNC(=C4)C)N

InChI

InChI=1S/C21H23N7O3S/c1-3-31-20(30)17-16(22)18(24-15-10-11(2)27-28-15)26-21(25-17)32-14-8-6-13(7-9-14)23-19(29)12-4-5-12/h6-10,12H,3-5,22H2,1-2H3,(H,23,29)(H2,24,25,26,27,28)