1-(4-ethylpiperazin-1-yl)-3-[2-methylpropyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[2-methylpropyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[isobutyl-[2-(2-thienyl)quinazolin-4-yl]amino]propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[2-methylpropyl-(2-thiophen-2-yl-4-quinazolinyl)amino]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[2-methylpropyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one Traditional Name: 1-(4-ethylpiperazino)-3-[isobutyl-[2-(2-thienyl)quinazolin-4-yl]amino]propan-1-one Formula: C25H33N5OS MolecularWeight: 451.62742

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCN(CC(C)C)C2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCN(CC(C)C)C2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C25H33N5OS/c1-4-28-13-15-29(16-14-28)23(31)11-12-30(18-19(2)3)25-20-8-5-6-9-21(20)26-24(27-25)22-10-7-17-32-22/h5-10,17,19H,4,11-16,18H2,1-3H3