1-(3-azanyl-5-methyl-pyrazol-1-yl)-2-[4-(butylamino)quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(3-azanyl-5-methyl-pyrazol-1-yl)-2-[4-(butylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3-amino-5-methyl-pyrazol-1-yl)-2-[4-(butylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(3-amino-5-methyl-1-pyrazolyl)-2-[[4-(butylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(3-amino-5-methylpyrazol-1-yl)-2-[4-(butylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(3-amino-5-methyl-pyrazol-1-yl)-2-[[4-(butylamino)quinazolin-2-yl]thio]ethanone Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3C(=CC(=N3)N)C

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3C(=CC(=N3)N)C

InChI

InChI=1S/C18H22N6OS/c1-3-4-9-20-17-13-7-5-6-8-14(13)21-18(22-17)26-11-16(25)24-12(2)10-15(19)23-24/h5-8,10H,3-4,9,11H2,1-2H3,(H2,19,23)(H,20,21,22)