2-[5-[(4-tert-butylphenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: 2-[5-[(4-tert-butylphenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(3-morpholinopropyl)propanamide CAS Name: 2-[[5-[(4-tert-butylphenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: 2-[5-[(4-tert-butylphenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: 2-[[5-(4-tert-butylbenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-(3-morpholinopropyl)propionamide Formula: C27H40N4O3S MolecularWeight: 500.6965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SC(C)C(=O)NCCCN2CCOCC2)C)CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SC(C)C(=O)NCCCN2CCOCC2)C)CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H40N4O3S/c1-19-23(18-21-8-10-22(11-9-21)27(3,4)5)25(33)30(6)26(29-19)35-20(2)24(32)28-12-7-13-31-14-16-34-17-15-31/h8-11,20H,7,12-18H2,1-6H3,(H,28,32)