N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-4-pyrrolidin-1-yl-quinazoline-7-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-4-pyrrolidin-1-yl-quinazoline-7-carboxamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-4-pyrrolidin-1-yl-quinazoline-7-carboxamide CAS Name: N-[2-(4-methyl-1-piperazinyl)ethyl]-2-(methylthio)-4-(1-pyrrolidinyl)-7-quinazolinecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-4-pyrrolidin-1-ylquinazoline-7-carboxamide Traditional Name: N-[2-(4-methylpiperazino)ethyl]-2-(methylthio)-4-pyrrolidino-quinazoline-7-carboxamide Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)C(=NC(=N3)SC)N4CCCC4

Isomeric SMILES

CN1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)C(=NC(=N3)SC)N4CCCC4

InChI

InChI=1S/C21H30N6OS/c1-25-11-13-26(14-12-25)10-7-22-20(28)16-5-6-17-18(15-16)23-21(29-2)24-19(17)27-8-3-4-9-27/h5-6,15H,3-4,7-14H2,1-2H3,(H,22,28)