(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: (4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)methyl ester IUPAC Name: (4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=C4C(=C(SC4=N3)C)C)N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=C4C(=C(SC4=N3)C)C)N

InChI

InChI=1S/C21H21N5O3S/c1-4-9-26-20(27)14-8-6-5-7-13(14)17(25-26)21(28)29-10-15-23-18(22)16-11(2)12(3)30-19(16)24-15/h5-8H,4,9-10H2,1-3H3,(H2,22,23,24)