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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-(furan-2-ylmethyl)-3-prop-2-enyl-thiourea Openeye Name: 3-allyl-1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-(2-furylmethyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-(2-furanylmethyl)-3-prop-2-enylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-ylmethyl)-3-prop-2-enylthiourea Traditional Name: 3-allyl-1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-(2-furfuryl)thiourea Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=S)NCC=C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=S)NCC=C)N

InChI

InChI=1S/C17H23N5O3S/c1-3-5-9-21-14(18)13(15(23)20-16(21)24)22(17(26)19-8-4-2)11-12-7-6-10-25-12/h4,6-7,10H,2-3,5,8-9,11,18H2,1H3,(H,19,26)(H,20,23,24)