4-[2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide

Systemtic Name: 4-[2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]butanamide CAS Name: 4-[2-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-benzyl-4-[4-keto-2-[[2-keto-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethyl]thio]quinazolin-3-yl]butyramide Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4

InChI

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