1-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-2,3-dihydroindole-5-carbonyl chloride

Systemtic Name: 1-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-2,3-dihydroindole-5-carbonyl chloride Openeye Name: 1-[(2,4-diaminopteridin-6-yl)methyl]indoline-5-carbonyl chloride CAS Name: 1-[(2,4-diamino-6-pteridinyl)methyl]-2,3-dihydroindole-5-carbonyl chloride IUPAC Name: 1-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydroindole-5-carbonyl chloride Traditional Name: 1-[(2,4-diaminopteridin-6-yl)methyl]indoline-5-carbonyl chloride Formula: C16H14ClN7O MolecularWeight: 355.78166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C(=O)Cl)CC3=CN=C4C(=N3)C(=NC(=N4)N)N

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C(=O)Cl)CC3=CN=C4C(=N3)C(=NC(=N4)N)N

InChI

InChI=1S/C16H14ClN7O/c17-13(25)9-1-2-11-8(5-9)3-4-24(11)7-10-6-20-15-12(21-10)14(18)22-16(19)23-15/h1-2,5-6H,3-4,7H2,(H4,18,19,20,22,23)