1-aminocarbonylurea; carbamic acid; perylene-1-carboximidamide

Systemtic Name: 1-aminocarbonylurea; carbamic acid; perylene-1-carboximidamide Openeye Name: carbamic acid; carbamoylurea; perylene-1-carboxamidine CAS Name: carbamic acid; carbamoylurea; 1-perylenecarboximidamide IUPAC Name: carbamic acid; carbamoylurea; perylene-1-carboximidamide Traditional Name: carbamic acid; carbamoylurea; perylene-1-carboxamidine Formula: C25H25N7O6 MolecularWeight: 519.5093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=C(C=C5)C(=N)N)C3=CC=C2.C(=O)(N)NC(=O)N.C(=O)(N)O.C(=O)(N)O

Isomeric SMILES

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=C(C=C5)C(=N)N)C3=CC=C2.C(=O)(N)NC(=O)N.C(=O)(N)O.C(=O)(N)O

InChI

InChI=1S/C21H14N2.C2H5N3O2.2CH3NO2/c22-21(23)17-11-10-13-6-2-8-15-14-7-1-4-12-5-3-9-16(18(12)14)20(17)19(13)15;3-1(6)5-2(4)7;2*2-1(3)4/h1-11H,(H3,22,23);(H5,3,4,5,6,7);2*2H2,(H,3,4)