1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]urea

Systemtic Name: 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]urea Openeye Name: 1-methyl-1-[(2-methylthiazol-5-yl)methyl]-3-[6-(3-oxopiperazin-1-yl)-3-pyridyl]urea CAS Name: 1-methyl-1-[(2-methyl-5-thiazolyl)methyl]-3-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]urea IUPAC Name: 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]urea Traditional Name: 3-[6-(3-ketopiperazino)-3-pyridyl]-1-methyl-1-[(2-methylthiazol-5-yl)methyl]urea Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)CN(C)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=NC=C(S1)CN(C)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C16H20N6O2S/c1-11-18-8-13(25-11)9-21(2)16(24)20-12-3-4-14(19-7-12)22-6-5-17-15(23)10-22/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,17,23)(H,20,24)