6-methoxy-4-piperazin-1-yl-7-[3-[2,2,2-tris(fluoranyl)ethylsulfonyl]propoxy]quinazoline

Systemtic Name: 6-methoxy-4-piperazin-1-yl-7-[3-[2,2,2-tris(fluoranyl)ethylsulfonyl]propoxy]quinazoline Openeye Name: 6-methoxy-4-piperazin-1-yl-7-[3-(2,2,2-trifluoroethylsulfonyl)propoxy]quinazoline CAS Name: 6-methoxy-4-(1-piperazinyl)-7-[3-(2,2,2-trifluoroethylsulfonyl)propoxy]quinazoline IUPAC Name: 6-methoxy-4-piperazin-1-yl-7-[3-(2,2,2-trifluoroethylsulfonyl)propoxy]quinazoline Traditional Name: 6-methoxy-4-piperazino-7-[3-(2,2,2-trifluoroethylsulfonyl)propoxy]quinazoline Formula: C18H23F3N4O4S MolecularWeight: 448.45983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCNCC3)OCCCS(=O)(=O)CC(F)(F)F

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCNCC3)OCCCS(=O)(=O)CC(F)(F)F

InChI

InChI=1S/C18H23F3N4O4S/c1-28-15-9-13-14(23-12-24-17(13)25-5-3-22-4-6-25)10-16(15)29-7-2-8-30(26,27)11-18(19,20)21/h9-10,12,22H,2-8,11H2,1H3