1-[4-[(8Z)-8-[azanyl(oxidanyl)methylidene]-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-(3-chloranylpropyl)urea

Systemtic Name: 1-[4-[(8Z)-8-[azanyl(oxidanyl)methylidene]-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-(3-chloranylpropyl)urea Openeye Name: 1-[4-[(8Z)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-(3-chloropropyl)urea CAS Name: 1-[4-[(8Z)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-(3-chloropropyl)urea IUPAC Name: 1-[4-[(8Z)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-(3-chloropropyl)urea Traditional Name: 1-[4-[(8Z)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-triketo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-(3-chloropropyl)urea Formula: C31H33ClN4O8 MolecularWeight: 625.06872

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)C5=CC=C(C=C5)NC(=O)NCCCCl

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)C5=CC=C(C=C5)NC(=O)NCCCCl

InChI

InChI=1S/C31H33ClN4O8/c1-36(2)24-19-13-15-12-18-17(14-4-6-16(7-5-14)35-30(43)34-11-3-10-32)8-9-20(37)22(18)25(38)21(15)27(40)31(19,44)28(41)23(26(24)39)29(33)42/h4-9,15,19,24,37-38,42,44H,3,10-13,33H2,1-2H3,(H2,34,35,43)/b29-23-