KSC
Summary
Name: | 7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide |
Formula: | C19 H22 N6 O2 |
Formal charge: | 0 |
Formula weight: | 366.417 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.6.1 | 7-(cyclopropylmethylamino)-2-[(4-methoxyphenyl)amino]-5-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(Nc2nn3c(NCC4CC4)cc(C)nc3c2C(N)=O)cc1 |
SMILES | CACTVS | 3.352 | COc1ccc(Nc2nn3c(NCC4CC4)cc(C)nc3c2C(N)=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(n2c(n1)c(c(n2)Nc3ccc(cc3)OC)C(=O)N)NCC4CC4 |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(n2c(n1)c(c(n2)Nc3ccc(cc3)OC)C(=O)N)NCC4CC4 |
InChI | InChI | 1.03 | InChI=1S/C19H22N6O2/c1-11-9-15(21-10-12-3-4-12)25-19(22-11)16(17(20)26)18(24-25)23-13-5-7-14(27-2)8-6-13/h5-9,12,21H,3-4,10H2,1-2H3,(H2,20,26)(H,23,24) |
InChIKey | InChI | 1.03 | MQQLFCCVKCAWKZ-UHFFFAOYSA-N |