1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(3-chloranyl-2-methyl-phenyl)-1-methyl-thiourea

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(3-chloranyl-2-methyl-phenyl)-1-methyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(3-chloro-2-methyl-phenyl)-1-methyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(3-chloro-2-methylphenyl)-1-methylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-chloro-2-methylphenyl)-1-methylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(3-chloro-2-methyl-phenyl)-1-methyl-thiourea Formula: C17H22ClN5O2S MolecularWeight: 395.90688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=S)NC2=C(C(=CC=C2)Cl)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=S)NC2=C(C(=CC=C2)Cl)C)N

InChI

InChI=1S/C17H22ClN5O2S/c1-4-5-9-23-14(19)13(15(24)21-16(23)25)22(3)17(26)20-12-8-6-7-11(18)10(12)2/h6-8H,4-5,9,19H2,1-3H3,(H,20,26)(H,21,24,25)