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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(2-ethylphenyl)-1-propyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(2-ethylphenyl)-1-propyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(2-ethylphenyl)-1-propylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2-ethylphenyl)-1-propylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(2-ethylphenyl)-1-propyl-thiourea Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=S)NC2=CC=CC=C2CC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=S)NC2=CC=CC=C2CC)N

InChI

InChI=1S/C20H29N5O2S/c1-4-7-13-25-17(21)16(18(26)23-19(25)27)24(12-5-2)20(28)22-15-11-9-8-10-14(15)6-3/h8-11H,4-7,12-13,21H2,1-3H3,(H,22,28)(H,23,26,27)