5-(furan-2-yl)-2-[[(phenylmethyl)-propan-2-yl-amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(furan-2-yl)-2-[[(phenylmethyl)-propan-2-yl-amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[benzyl(isopropyl)amino]methyl]-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[[(phenylmethyl)-propan-2-ylamino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[benzyl(propan-2-yl)amino]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[benzyl(isopropyl)amino]methyl]-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C21H21N3O2S/c1-14(2)24(11-15-7-4-3-5-8-15)12-18-22-20(25)19-16(13-27-21(19)23-18)17-9-6-10-26-17/h3-10,13-14H,11-12H2,1-2H3,(H,22,23,25)