tert-butyl 4-[3-[2-[[(3S)-5-ethoxy-5-oxidanylidene-pent-1-yn-3-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-quinazolin-6-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[2-[[(3S)-5-ethoxy-5-oxidanylidene-pent-1-yn-3-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-quinazolin-6-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[2-[[(1S)-1-(2-ethoxy-2-oxo-ethyl)prop-2-ynyl]amino]-2-oxo-ethyl]-4-oxo-quinazolin-6-yl]piperazine-1-carboxylate CAS Name: 4-[3-[2-[[(3S)-5-ethoxy-5-oxopent-1-yn-3-yl]amino]-2-oxoethyl]-4-oxo-6-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[2-[[(3S)-5-ethoxy-5-oxopent-1-yn-3-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[2-[[(1S)-1-(2-ethoxy-2-keto-ethyl)prop-2-ynyl]amino]-2-keto-ethyl]-4-keto-quinazolin-6-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H33N5O6 MolecularWeight: 511.57012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C#C)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C[C@@H](C#C)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N5O6/c1-6-18(14-23(33)36-7-2)28-22(32)16-31-17-27-21-9-8-19(15-20(21)24(31)34)29-10-12-30(13-11-29)25(35)37-26(3,4)5/h1,8-9,15,17-18H,7,10-14,16H2,2-5H3,(H,28,32)/t18-/m1/s1