2-methyl-4-[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]phthalazin-1-one Openeye Name: 2-methyl-4-[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]phthalazin-1-one CAS Name: 2-methyl-4-[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-methyl-4-[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]phthalazin-1-one Traditional Name: 2-methyl-4-[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]phthalazin-1-one Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=NN=C(S3)NCC4CCCO4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=NN=C(S3)NCC4CCCO4

InChI

InChI=1S/C16H17N5O2S/c1-21-15(22)12-7-3-2-6-11(12)13(20-21)14-18-19-16(24-14)17-9-10-5-4-8-23-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,17,19)