6-azanyl-1-cyclopropyl-5-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(coumaran-5-ylmethyl)piperazino]acetyl]-1-cyclopropyl-pyrimidine-2,4-quinone Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCC5)N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCC5)N

InChI

InChI=1S/C22H27N5O4/c23-20-19(21(29)24-22(30)27(20)16-2-3-16)17(28)13-26-8-6-25(7-9-26)12-14-1-4-18-15(11-14)5-10-31-18/h1,4,11,16H,2-3,5-10,12-13,23H2,(H,24,29,30)