1-(4-heptoxy-6-methyl-2-octyl-pyrimidin-5-yl)thiourea

Systemtic Name: 1-(4-heptoxy-6-methyl-2-octyl-pyrimidin-5-yl)thiourea Openeye Name: (4-heptoxy-6-methyl-2-octyl-pyrimidin-5-yl)thiourea CAS Name: (4-heptoxy-6-methyl-2-octyl-5-pyrimidinyl)thiourea IUPAC Name: (4-heptoxy-6-methyl-2-octylpyrimidin-5-yl)thiourea Traditional Name: (4-heptoxy-6-methyl-2-octyl-pyrimidin-5-yl)thiourea Formula: C21H38N4OS MolecularWeight: 394.61762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=C(C(=N1)OCCCCCCC)NC(=S)N)C

Isomeric SMILES

CCCCCCCCC1=NC(=C(C(=N1)OCCCCCCC)NC(=S)N)C

InChI

InChI=1S/C21H38N4OS/c1-4-6-8-10-11-13-15-18-23-17(3)19(25-21(22)27)20(24-18)26-16-14-12-9-7-5-2/h4-16H2,1-3H3,(H3,22,25,27)