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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(1,3-benzodioxol-5-ylmethyl)-1-methylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-1-methylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-methyl-3-piperonyl-thiourea Formula: C18H23N5O4S MolecularWeight: 405.47132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=S)NCC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=S)NCC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C18H23N5O4S/c1-3-4-7-23-15(19)14(16(24)21-17(23)25)22(2)18(28)20-9-11-5-6-12-13(8-11)27-10-26-12/h5-6,8H,3-4,7,9-10,19H2,1-2H3,(H,20,28)(H,21,24,25)