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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-ethylphenyl)-1-methyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(4-ethylphenyl)-1-methyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(4-ethylphenyl)-1-methylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-ethylphenyl)-1-methylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(4-ethylphenyl)-1-methyl-thiourea Formula: C18H25N5O2S MolecularWeight: 375.4884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-4-6-11-23-15(19)14(16(24)21-17(23)25)22(3)18(26)20-13-9-7-12(5-2)8-10-13/h7-10H,4-6,11,19H2,1-3H3,(H,20,26)(H,21,24,25)