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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-(2-methoxyethyl)-3-(phenylmethyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-benzyl-1-(2-methoxyethyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-(2-methoxyethyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-benzyl-1-(2-methoxyethyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-benzyl-1-(2-methoxyethyl)thiourea Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O3S/c1-3-4-10-24-16(20)15(17(25)22-18(24)26)23(11-12-27-2)19(28)21-13-14-8-6-5-7-9-14/h5-9H,3-4,10-13,20H2,1-2H3,(H,21,28)(H,22,25,26)