1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3CCCO3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C19H25N5O3S/c1-2-3-10-24-18(26)15-9-5-4-8-14(15)16(23-24)17(25)21-22-19(28)20-12-13-7-6-11-27-13/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,21,25)(H2,20,22,28)/t13-/m1/s1