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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(1,3-benzodioxol-5-ylmethyl)-1-ethylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-1-ethylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-ethyl-3-piperonyl-thiourea Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4S/c1-3-5-8-24-16(20)15(17(25)22-18(24)26)23(4-2)19(29)21-10-12-6-7-13-14(9-12)28-11-27-13/h6-7,9H,3-5,8,10-11,20H2,1-2H3,(H,21,29)(H,22,25,26)