3-[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide

Systemtic Name: 3-[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide Openeye Name: 3-[2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-phenethyl-propanamide CAS Name: 3-[2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-phenethylpropanamide IUPAC Name: 3-[2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-phenethylpropanamide Traditional Name: 3-[2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]-N-phenethyl-propionamide Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4)N

InChI

InChI=1S/C25H26N6O3S/c1-17-15-21(26)29-31(17)23(33)16-35-25-28-20-10-6-5-9-19(20)24(34)30(25)14-12-22(32)27-13-11-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H2,26,29)(H,27,32)