tert-butyl 4-(7-methoxy-6-prop-2-ynoxy-quinazolin-4-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(7-methoxy-6-prop-2-ynoxy-quinazolin-4-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-methoxy-6-prop-2-ynoxy-quinazolin-4-yl)piperazine-1-carboxylate CAS Name: 4-(7-methoxy-6-prop-2-ynoxy-4-quinazolinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-methoxy-6-prop-2-ynoxyquinazolin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(7-methoxy-6-propargyloxy-quinazolin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OCC#C)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OCC#C)OC

InChI

InChI=1S/C21H26N4O4/c1-6-11-28-18-12-15-16(13-17(18)27-5)22-14-23-19(15)24-7-9-25(10-8-24)20(26)29-21(2,3)4/h1,12-14H,7-11H2,2-5H3