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

Systemtic Name: 5-azanyl-2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-N-(2-dimethylaminoethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxamide Openeye Name: 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-(2-dimethylaminoethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxamide CAS Name: 5-amino-2-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-N-(2-dimethylaminoethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyrimidinecarboxamide IUPAC Name: 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-(2-dimethylaminoethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxamide Traditional Name: 5-amino-2-[[4-(cyclopropanecarbonylamino)phenyl]thio]-N-(2-dimethylaminoethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxamide Formula: C23H29N9O2S MolecularWeight: 495.60046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)NCCN(C)C)SC3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)NCCN(C)C)SC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C23H29N9O2S/c1-13-12-17(31-30-13)27-20-18(24)19(22(34)25-10-11-32(2)3)28-23(29-20)35-16-8-6-15(7-9-16)26-21(33)14-4-5-14/h6-9,12,14H,4-5,10-11,24H2,1-3H3,(H,25,34)(H,26,33)(H2,27,28,29,30,31)