2-methyl-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-6-propoxy-pyrimidine

Systemtic Name: 2-methyl-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-6-propoxy-pyrimidine Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxy-pyrimidine CAS Name: 2-methyl-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-6-propoxypyrimidine IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-propoxypyrimidine Traditional Name: 4-(4-benzylsulfonylpiperazino)-2-methyl-6-propoxy-pyrimidine Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H26N4O3S/c1-3-13-26-19-14-18(20-16(2)21-19)22-9-11-23(12-10-22)27(24,25)15-17-7-5-4-6-8-17/h4-8,14H,3,9-13,15H2,1-2H3