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

Systemtic Name: (4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic 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 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C)C

InChI

InChI=1S/C20H19N5O3S/c1-10-11(2)29-19-17(10)18(21)22-15(23-19)9-28-16(26)8-14-12-6-4-5-7-13(12)20(27)25(3)24-14/h4-7H,8-9H2,1-3H3,(H2,21,22,23)