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4-methylbenzenesulfonic acid; 2-[4-(phenylmethyl)piperazin-1-yl]-5H-furo[2,3-d]pyrimidin-6-one

4-methylbenzenesulfonic acid; 2-[4-(phenylmethyl)piperazin-1-yl]-5H-furo[2,3-d]pyrimidin-6-one

Systemtic Name:4-methylbenzenesulfonic acid; 2-[4-(phenylmethyl)piperazin-1-yl]-5H-furo[2,3-d]pyrimidin-6-one
Openeye Name:2-(4-benzylpiperazin-1-yl)-5H-furo[2,3-d]pyrimidin-6-one; 4-methylbenzenesulfonic acid
CAS Name:4-methylbenzenesulfonic acid; 2-[4-(phenylmethyl)-1-piperazinyl]-5H-furo[2,3-d]pyrimidin-6-one
IUPAC Name:2-(4-benzylpiperazin-1-yl)-5H-furo[2,3-d]pyrimidin-6-one; 4-methylbenzenesulfonic acid
Traditional Name:2-(4-benzylpiperazino)-5H-furo[2,3-d]pyrimidin-6-one; tosylic acid
Formula: C24H26N4O5S
MolecularWeight: 482.55204
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCN1CC2=CC=CC=C2)C3=NC=C4CC(=O)OC4=N3


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCN1CC2=CC=CC=C2)C3=NC=C4CC(=O)OC4=N3


InChI

InChI=1S/C17H18N4O2.C7H8O3S/c22-15-10-14-11-18-17(19-16(14)23-15)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11H,6-10,12H2;2-5H,1H3,(H,8,9,10)


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