2-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-5-nitro-phenol

Systemtic Name: 2-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-5-nitro-phenol Openeye Name: 2-[(2,4-diaminopteridin-6-yl)methylamino]-5-nitro-phenol CAS Name: 2-[(2,4-diamino-6-pteridinyl)methylamino]-5-nitrophenol IUPAC Name: 2-[(2,4-diaminopteridin-6-yl)methylamino]-5-nitrophenol Traditional Name: 2-[(2,4-diaminopteridin-6-yl)methylamino]-5-nitro-phenol Formula: C13H12N8O3 MolecularWeight: 328.28618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C13H12N8O3/c14-11-10-12(20-13(15)19-11)17-5-6(18-10)4-16-8-2-1-7(21(23)24)3-9(8)22/h1-3,5,16,22H,4H2,(H4,14,15,17,19,20)