4-[(5-methylfuran-2-yl)methyl]-3-[2-oxidanylidene-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one

Systemtic Name: 4-[(5-methylfuran-2-yl)methyl]-3-[2-oxidanylidene-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one Openeye Name: 4-[(5-methyl-2-furyl)methyl]-3-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one CAS Name: 4-[(5-methyl-2-furanyl)methyl]-3-[2-oxo-2-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]ethyl]-2-piperazinone IUPAC Name: 4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one Traditional Name: 3-[2-keto-2-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]ethyl]-4-[(5-methyl-2-furyl)methyl]piperazin-2-one Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2CCNC(=O)C2CC(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(O1)CN2CCNC(=O)C2CC(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O3/c1-16-4-5-17(30-16)15-27-11-8-22-20(29)18(27)14-19(28)25-9-3-10-26(13-12-25)21-23-6-2-7-24-21/h2,4-7,18H,3,8-15H2,1H3,(H,22,29)