[6-[(5-methylfuran-2-yl)methylamino]pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-[(5-methylfuran-2-yl)methylamino]pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-[(5-methyl-2-furyl)methylamino]-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-[(5-methyl-2-furanyl)methylamino]-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-[(5-methylfuran-2-yl)methylamino]pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-[(5-methyl-2-furyl)methylamino]-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(O1)CNC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O2/c1-16-4-6-18(29-16)15-25-19-7-5-17(14-24-19)20(28)26-10-3-11-27(13-12-26)21-22-8-2-9-23-21/h2,4-9,14H,3,10-13,15H2,1H3,(H,24,25)