3-methyl-1-[(7-morpholin-4-yl-2-thiophen-2-yl-quinazolin-4-yl)amino]pyrrole-2,5-dione

Systemtic Name: 3-methyl-1-[(7-morpholin-4-yl-2-thiophen-2-yl-quinazolin-4-yl)amino]pyrrole-2,5-dione Openeye Name: 3-methyl-1-[[7-morpholino-2-(2-thienyl)quinazolin-4-yl]amino]pyrrole-2,5-dione CAS Name: 3-methyl-1-[[7-(4-morpholinyl)-2-thiophen-2-yl-4-quinazolinyl]amino]pyrrole-2,5-dione IUPAC Name: 3-methyl-1-[(7-morpholin-4-yl-2-thiophen-2-ylquinazolin-4-yl)amino]pyrrole-2,5-dione Traditional Name: 3-methyl-1-[[7-morpholino-2-(2-thienyl)quinazolin-4-yl]amino]-3-pyrroline-2,5-quinone Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)NC2=NC(=NC3=C2C=CC(=C3)N4CCOCC4)C5=CC=CS5

Isomeric SMILES

CC1=CC(=O)N(C1=O)NC2=NC(=NC3=C2C=CC(=C3)N4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C21H19N5O3S/c1-13-11-18(27)26(21(13)28)24-19-15-5-4-14(25-6-8-29-9-7-25)12-16(15)22-20(23-19)17-3-2-10-30-17/h2-5,10-12H,6-9H2,1H3,(H,22,23,24)