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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-cyclohexyl-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-cyclohexyl-1-(2-furylmethyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-cyclohexyl-1-(2-furanylmethyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-cyclohexyl-1-(2-furfuryl)thiourea Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=S)NC3CCCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=S)NC3CCCCC3)N

InChI

InChI=1S/C20H29N5O3S/c1-2-3-11-24-17(21)16(18(26)23-19(24)27)25(13-15-10-7-12-28-15)20(29)22-14-8-5-4-6-9-14/h7,10,12,14H,2-6,8-9,11,13,21H2,1H3,(H,22,29)(H,23,26,27)