ethyl 4-[[[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]amino]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]amino]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]amino]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]amino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]amino]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]amino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CNC2CC(CC3=NC(=NC=C23)C(C)(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN[C@H]2CC(CC3=NC(=NC=C23)C(C)(C)C)(C)C

InChI

InChI=1S/C21H31N5O2/c1-7-28-18(27)17-13(11-24-26-17)10-22-15-8-21(5,6)9-16-14(15)12-23-19(25-16)20(2,3)4/h11-12,15,22H,7-10H2,1-6H3,(H,24,26)/t15-/m0/s1