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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-1-butyl-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-1-butyl-3-(4-ethoxyphenyl)thiourea CAS Name: 1-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-1-butyl-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-1-butyl-3-p-phenetyl-thiourea Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=S)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=S)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C20H29N5O3S/c1-4-7-13-24(16-17(21)25(12-5-2)19(27)23-18(16)26)20(29)22-14-8-10-15(11-9-14)28-6-3/h8-11H,4-7,12-13,21H2,1-3H3,(H,22,29)(H,23,26,27)