2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-N-(3-propan-2-yloxypropyl)quinazoline-7-carboxamide

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-N-(3-propan-2-yloxypropyl)quinazoline-7-carboxamide Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-N-(3-isopropoxypropyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-(2-furanylmethyl)-4-oxo-N-(3-propan-2-yloxypropyl)-7-quinazolinecarboxamide IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxo-N-(3-propan-2-yloxypropyl)quinazoline-7-carboxamide Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-(2-furfuryl)-N-(3-isopropoxypropyl)-4-keto-quinazoline-7-carboxamide Formula: C26H30N6O5S MolecularWeight: 538.6186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCCCOC(C)C)C(=O)N2CC4=CC=CO4)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCCCOC(C)C)C(=O)N2CC4=CC=CO4)N

InChI

InChI=1S/C26H30N6O5S/c1-16(2)36-11-5-9-28-24(34)18-7-8-20-21(13-18)29-26(31(25(20)35)14-19-6-4-10-37-19)38-15-23(33)32-17(3)12-22(27)30-32/h4,6-8,10,12-13,16H,5,9,11,14-15H2,1-3H3,(H2,27,30)(H,28,34)